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

ID: ALA4533697

PubChem CID: 155547256

Max Phase: Preclinical

Molecular Formula: C25H28N6O6

Molecular Weight: 508.54

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N

Standard InChI:  InChI=1S/C25H28N6O6/c1-16(14-35-2)37-21-9-22(27-11-19(21)10-26)29-25(34)31-5-3-4-17-8-18(20(13-32)28-24(17)31)12-30-6-7-36-15-23(30)33/h8-9,11,13,16H,3-7,12,14-15H2,1-2H3,(H,27,29,34)/t16-/m1/s1

Standard InChI Key:  JENZFUYEUWQEJI-MRXNPFEDSA-N

Molfile:  

 
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M  END

Alternative Forms

1. Parent:

   

   ALA4533697

   ---

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: 508.54

Molecular Weight (Monoisotopic): 508.2070

AlogP: 1.92

#Rotatable Bonds: 8

Polar Surface Area: 146.98

Molecular Species: NEUTRAL

HBA: 9

HBD: 1

#RO5 Violations: 1

HBA (Lipinski): 12

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 2

CX Acidic pKa: 10.87

CX Basic pKa: 2.20

CX LogP: 1.50

CX LogD: 1.50

Aromatic Rings: 2

Heavy Atoms: 37

QED Weighted: 0.53

Np Likeness Score: -1.15

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