1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide

C24H31N5O2 — CID 69006525

IUPAC1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3(C)CCCCC3)c(C(=O)NCc3ccc(OC)cc3)cnc21
InChIInChI=1S/C24H31N5O2/c1-4-29-22-19(16-27-29)21(28-24(2)12-6-5-7-13-24)20(15-25-22)23(30)26-14-17-8-10-18(31-3)11-9-17/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyGJHMDUOXNOFVHR-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.52
Rot. Bonds7

About 1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide

1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69006525) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID69006525
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3(C)CCCCC3)c(C(=O)NCc3ccc(OC)cc3)cnc21
InChIInChI=1S/C24H31N5O2/c1-4-29-22-19(16-27-29)21(28-24(2)12-6-5-7-13-24)20(15-25-22)23(30)26-14-17-8-10-18(31-3)11-9-17/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyGJHMDUOXNOFVHR-UHFFFAOYSA-N
XLogP4.52
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-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

1-ethyl-4-[(4-methoxyiminocyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87654004
4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006041
1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87653063
4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238065
methyl 3-[[5-(benzylcarbamoyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylate
CID 58629399
N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139920791
4-(cyclohexylamino)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011671
N-benzyl-1-ethyl-4-[[(2S)-1-methoxybutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 142872842
N-[(4-cyanophenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007349
4-[(3-chloro-4-methoxyphenyl)methylamino]-N-[[4-(dimethylamino)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18348812
N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 59854949
4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006827

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 69006525) is 1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC3(C)CCCCC3)c(C(=O)NCc3ccc(OC)cc3)cnc21.
What is the InChIKey of 1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is GJHMDUOXNOFVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-4-29-22-19(16-27-29)21(28-24(2)12-6-5-7-13-24)20(15-25-22)23(30)26-14-17-8-10-18(31-3)11-9-17/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,25,28)(H,26,30).
What are the key properties of 1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69006525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).