N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C17H24N4O — CID 129127699

IUPACN-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCC1CCC(C[C@@H](C)NC(=O)c2[nH]nc3ncccc23)CC1
InChIInChI=1S/C17H24N4O/c1-11-5-7-13(8-6-11)10-12(2)19-17(22)15-14-4-3-9-18-16(14)21-20-15/h3-4,9,11-13H,5-8,10H2,1-2H3,(H,19,22)(H,18,20,21)/t11?,12-,13?/m1/s1
InChIKeyKQISYXJSZMPDAX-OTTFEQOBSA-N
MW300.41 g/mol
LogP3.29
Rot. Bonds4

About N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 129127699) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID129127699
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCC1CCC(C[C@@H](C)NC(=O)c2[nH]nc3ncccc23)CC1
InChIInChI=1S/C17H24N4O/c1-11-5-7-13(8-6-11)10-12(2)19-17(22)15-14-4-3-9-18-16(14)21-20-15/h3-4,9,11-13H,5-8,10H2,1-2H3,(H,19,22)(H,18,20,21)/t11?,12-,13?/m1/s1
InChIKeyKQISYXJSZMPDAX-OTTFEQOBSA-N
XLogP3.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide
CID 129127696
2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
CID 84662548
[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167808185
3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)pyridine-2-carboxamide
CID 107524450
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167910121
N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 142460646
N-[2-methyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 166363863
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 166366395
N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714063
N-(1-cyclopropylpropan-2-yl)quinolin-5-amine
CID 115928345
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[1-(1-methylpiperidin-4-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 59773493

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 129127699) is N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is CC1CCC(C[C@@H](C)NC(=O)c2[nH]nc3ncccc23)CC1.
What is the InChIKey of N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is KQISYXJSZMPDAX-OTTFEQOBSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11-5-7-13(8-6-11)10-12(2)19-17(22)15-14-4-3-9-18-16(14)21-20-15/h3-4,9,11-13H,5-8,10H2,1-2H3,(H,19,22)(H,18,20,21)/t11?,12-,13?/m1/s1.
What are the key properties of N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-methylcyclohexyl)propan-2-yl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 129127699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).