N-(5-cyano-4-(2-methoxyethoxy)pyridin-2-yl)-7-formyl-6-((3-oxomorpholino)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide

ID: ALA4556198

PubChem CID: 118036565

Max Phase: Preclinical

Molecular Formula: C24H26N6O6

Molecular Weight: 494.51

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N

Standard InChI:  InChI=1S/C24H26N6O6/c1-34-7-8-36-20-10-21(26-12-18(20)11-25)28-24(33)30-4-2-3-16-9-17(19(14-31)27-23(16)30)13-29-5-6-35-15-22(29)32/h9-10,12,14H,2-8,13,15H2,1H3,(H,26,28,33)

Standard InChI Key:  VHGWZVVNPZZQME-UHFFFAOYSA-N

Molfile:  

 
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M  END

Alternative Forms

1. Parent:

   

   ALA4556198

   N-[5-cyano-4-(2-methoxyethoxy)pyridin-2-yl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 494.51

Molecular Weight (Monoisotopic): 494.1914

AlogP: 1.53

#Rotatable Bonds: 8

Polar Surface Area: 146.98

Molecular Species: NEUTRAL

HBA: 9

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 12

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 1

CX Acidic pKa: 10.87

CX Basic pKa: 2.20

CX LogP: 1.08

CX LogD: 1.08

Aromatic Rings: 2

Heavy Atoms: 36

QED Weighted: 0.43

Np Likeness Score: -1.29

References

1. Sun C, Fang L, Zhang X, Gao P, Gou S..  (2019)  Novel 7-formyl-naphthyridyl-ureas derivatives as potential selective FGFR4 inhibitors: Design, synthesis, and biological activity studies.,  27  (10): [PMID:30987781] [10.1016/j.bmc.2019.04.018]

Source

Source(1):

• Scientific Literature