(7-(2,4-dichlorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanol

ID: ALA5275567

Chembl Id: CHEMBL5275567

Max Phase: Preclinical

Molecular Formula: C20H15Cl2N3O

Molecular Weight: 384.27

Names and Identifiers

Canonical SMILES:  Cc1nc2cc(-c3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1CO

Standard InChI:  InChI=1S/C20H15Cl2N3O/c1-12-16(11-26)20(15-8-7-14(21)9-17(15)22)25-19(23-12)10-18(24-25)13-5-3-2-4-6-13/h2-10,26H,11H2,1H3

Standard InChI Key:  FYMFMPRTZSPHDV-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5275567

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 384.27

Molecular Weight (Monoisotopic): 383.0592

AlogP: 5.17

#Rotatable Bonds: 3

Polar Surface Area: 50.42

Molecular Species: NEUTRAL

HBA: 4

HBD: 1

#RO5 Violations: 1

HBA (Lipinski): 4

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: 1.36

CX LogP: 4.83

CX LogD: 4.83

Aromatic Rings: 4

Heavy Atoms: 26

QED Weighted: 0.53

Np Likeness Score: -1.44

References

1. Kumar S, Mittal A, Mittal A..  (2021)  A review upon medicinal perspective and designing rationale of DPP-4 inhibitors.,  46  [PMID:34428715] [10.1016/j.bmc.2021.116354]

Source

Source(1):

• Scientific Literature