N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

ID: ALA5208578

Chembl Id: CHEMBL5208578

PubChem CID: 16638962

Max Phase: Preclinical

Molecular Formula: C9H11N5

Molecular Weight: 189.22

Names and Identifiers

Canonical SMILES:  Cc1[nH]nc2c(NC3CC3)ncnc12

Standard InChI:  InChI=1S/C9H11N5/c1-5-7-8(14-13-5)9(11-4-10-7)12-6-2-3-6/h4,6H,2-3H2,1H3,(H,13,14)(H,10,11,12)

Standard InChI Key:  CTRMXAARLMLINT-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5208578

   N-cyclopropyl-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine

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: 189.22

Molecular Weight (Monoisotopic): 189.1014

AlogP: 1.24

#Rotatable Bonds: 2

Polar Surface Area: 66.49

Molecular Species: NEUTRAL

HBA: 4

HBD: 2

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 2

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 12.40

CX Basic pKa: 0.93

CX LogP: 0.85

CX LogD: 0.85

Aromatic Rings: 2

Heavy Atoms: 14

QED Weighted: 0.75

Np Likeness Score: -1.45

References

1. Nai F, Nachawati R, Zálešák F, Wang X, Li Y, Caflisch A..  (2022)  Fragment Ligands of the m⁶A-RNA Reader YTHDF2.,  13  (9.0): [PMID:36110386] [10.1021/acsmedchemlett.2c00303]

Source

Source(1):

• Scientific Literature