6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide

C21H22N8O2 — CID 118206375

IUPAC6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide
SMILESN#Cc1cc2cnn(-c3cc(NC4COC4)c(C(=O)NCCC4CC4)cn3)c2nc1N
InChIInChI=1S/C21H22N8O2/c22-7-13-5-14-8-26-29(20(14)28-19(13)23)18-6-17(27-15-10-31-11-15)16(9-25-18)21(30)24-4-3-12-1-2-12/h5-6,8-9,12,15H,1-4,10-11H2,(H2,23,28)(H,24,30)(H,25,27)
InChIKeyJYKLLLXAAPTLND-UHFFFAOYSA-N
MW418.46 g/mol
LogP1.61
Rot. Bonds7

About 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide

6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide (PubChem CID 118206375) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide
PubChem CID118206375
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide
SMILESN#Cc1cc2cnn(-c3cc(NC4COC4)c(C(=O)NCCC4CC4)cn3)c2nc1N
InChIInChI=1S/C21H22N8O2/c22-7-13-5-14-8-26-29(20(14)28-19(13)23)18-6-17(27-15-10-31-11-15)16(9-25-18)21(30)24-4-3-12-1-2-12/h5-6,8-9,12,15H,1-4,10-11H2,(H2,23,28)(H,24,30)(H,25,27)
InChIKeyJYKLLLXAAPTLND-UHFFFAOYSA-N
XLogP1.61
TPSA143.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-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

Related Compounds

6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206743
6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2R)-2-fluoropropyl]amino]pyridine-3-carboxamide
CID 118207060
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 123641912
6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206722
6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-[[(1R)-1-cyanoethyl]amino]pyridine-3-carboxylic acid
CID 171406754
4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206491
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide
CID 163400340
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118207022
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 118206137
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]amino]pyridine-3-carboxamide
CID 118205999
6-amino-1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-(2-oxoethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 171406467
2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide
CID 155123738

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide (CID 118206375) is 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide is N#Cc1cc2cnn(-c3cc(NC4COC4)c(C(=O)NCCC4CC4)cn3)c2nc1N.
What is the InChIKey of 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide?
The InChIKey is JYKLLLXAAPTLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c22-7-13-5-14-8-26-29(20(14)28-19(13)23)18-6-17(27-15-10-31-11-15)16(9-25-18)21(30)24-4-3-12-1-2-12/h5-6,8-9,12,15H,1-4,10-11H2,(H2,23,28)(H,24,30)(H,25,27).
What are the key properties of 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide?
6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).