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

C24H32N6O3S — CID 69012415

IUPAC1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCC(C)CC3)c(C(=O)NCc3ccc(NS(C)(=O)=O)cc3)cnc21
InChIInChI=1S/C24H32N6O3S/c1-4-30-23-20(15-27-30)22(28-18-9-5-16(2)6-10-18)21(14-25-23)24(31)26-13-17-7-11-19(12-8-17)29-34(3,32)33/h7-8,11-12,14-16,18,29H,4-6,9-10,13H2,1-3H3,(H,25,28)(H,26,31)
InChIKeyWQMGVMYBITYQAZ-UHFFFAOYSA-N
MW484.63 g/mol
LogP3.74
Rot. Bonds8

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

1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69012415) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is 1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID69012415
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC Name1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCC(C)CC3)c(C(=O)NCc3ccc(NS(C)(=O)=O)cc3)cnc21
InChIInChI=1S/C24H32N6O3S/c1-4-30-23-20(15-27-30)22(28-18-9-5-16(2)6-10-18)21(14-25-23)24(31)26-13-17-7-11-19(12-8-17)29-34(3,32)33/h7-8,11-12,14-16,18,29H,4-6,9-10,13H2,1-3H3,(H,25,28)(H,26,31)
InChIKeyWQMGVMYBITYQAZ-UHFFFAOYSA-N
XLogP3.74
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-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

4-(cyclobutylamino)-1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011668
4-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007189
4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006827
4-(cyclohexylamino)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011671
N-[(4-cyanophenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007349
1-ethyl-4-[(4-methoxyiminocyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87654004
1-ethyl-N-[4-(methylsulfonylmethyl)phenyl]-4-[(4-oxocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69010492
N-[(3,4-dimethylphenyl)methyl]-1-ethyl-4-[(4-nitrosocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90978810
methyl 3-[[5-(benzylcarbamoyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylate
CID 58629399
4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11598296
4-[(4-carbamoylcyclohexyl)amino]-1-ethyl-N-[(3-phenylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 11518896
1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87653063

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 69012415) is 1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC3CCC(C)CC3)c(C(=O)NCc3ccc(NS(C)(=O)=O)cc3)cnc21.
What is the InChIKey of 1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WQMGVMYBITYQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-4-30-23-20(15-27-30)22(28-18-9-5-16(2)6-10-18)21(14-25-23)24(31)26-13-17-7-11-19(12-8-17)29-34(3,32)33/h7-8,11-12,14-16,18,29H,4-6,9-10,13H2,1-3H3,(H,25,28)(H,26,31).
What are the key properties of 1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 484.63 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69012415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).