(1R,3R)-N3-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

ID: ALA5285499

Chembl Id: CHEMBL5285499

Max Phase: Preclinical

Molecular Formula: C14H21N5

Molecular Weight: 259.36

Names and Identifiers

Canonical SMILES:  CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1

Standard InChI:  InChI=1S/C14H21N5/c1-2-3-11-9-14(18-12-5-4-10(15)8-12)19-13(17-11)6-7-16-19/h6-7,9-10,12,18H,2-5,8,15H2,1H3/t10-,12-/m1/s1

Standard InChI Key:  JTBZUSIDMCXPIU-ZYHUDNBSSA-N

Alternative Forms

1. Parent:

   

   ALA5285499

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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: 259.36

Molecular Weight (Monoisotopic): 259.1797

AlogP: 1.97

#Rotatable Bonds: 4

Polar Surface Area: 68.24

Molecular Species: BASE

HBA: 5

HBD: 2

#RO5 Violations: 0

HBA (Lipinski): 5

HBD (Lipinski): 3

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa: 10.06

CX LogP: 1.28

CX LogD: -1.23

Aromatic Rings: 2

Heavy Atoms: 19

QED Weighted: 0.88

Np Likeness Score: -1.50

References

1. Huang Z, Wang T, Wang C, Fan Y..  (2022)  CDK9 inhibitors in cancer research.,  13  (6.0): [PMID:35814933] [10.1039/d2md00040g]

Source

Source(1):

• Scientific Literature