N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H22N8O2 — CID 137449381

IUPACN-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2nn(C3CCOC3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H22N8O2/c1-22-17-9-16(26-20-15(10-24-29(17)20)21(30)25-12-4-5-12)18-14-3-2-7-23-19(14)28(27-18)13-6-8-31-11-13/h2-3,7,9-10,12-13,22H,4-6,8,11H2,1H3,(H,25,30)
InChIKeyFZKBMSPRLDLCQG-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.04
Rot. Bonds5

About N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449381) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449381
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC NameN-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2nn(C3CCOC3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H22N8O2/c1-22-17-9-16(26-20-15(10-24-29(17)20)21(30)25-12-4-5-12)18-14-3-2-7-23-19(14)28(27-18)13-6-8-31-11-13/h2-3,7,9-10,12-13,22H,4-6,8,11H2,1H3,(H,25,30)
InChIKeyFZKBMSPRLDLCQG-UHFFFAOYSA-N
XLogP2.04
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449381) is N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2nn(C3CCOC3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FZKBMSPRLDLCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-22-17-9-16(26-20-15(10-24-29(17)20)21(30)25-12-4-5-12)18-14-3-2-7-23-19(14)28(27-18)13-6-8-31-11-13/h2-3,7,9-10,12-13,22H,4-6,8,11H2,1H3,(H,25,30).
What are the key properties of N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).