4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C24H29N5O2 — CID 69006041

IUPAC4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(N[C@@H]3C[C@H]4CC[C@@H]3C4)c(C(=O)NCc3ccc(OC)cc3)cnc21
InChIInChI=1S/C24H29N5O2/c1-3-29-23-19(14-27-29)22(28-21-11-16-4-7-17(21)10-16)20(13-25-23)24(30)26-12-15-5-8-18(31-2)9-6-15/h5-6,8-9,13-14,16-17,21H,3-4,7,10-12H2,1-2H3,(H,25,28)(H,26,30)/t16-,17+,21+/m0/s1
InChIKeyDYLQCXIWQILSCM-CSODHUTKSA-N
MW419.53 g/mol
LogP3.99
Rot. Bonds7

About 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69006041) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID69006041
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(N[C@@H]3C[C@H]4CC[C@@H]3C4)c(C(=O)NCc3ccc(OC)cc3)cnc21
InChIInChI=1S/C24H29N5O2/c1-3-29-23-19(14-27-29)22(28-21-11-16-4-7-17(21)10-16)20(13-25-23)24(30)26-12-15-5-8-18(31-2)9-6-15/h5-6,8-9,13-14,16-17,21H,3-4,7,10-12H2,1-2H3,(H,25,28)(H,26,30)/t16-,17+,21+/m0/s1
InChIKeyDYLQCXIWQILSCM-CSODHUTKSA-N
XLogP3.99
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]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-[[(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
1-ethyl-4-[(4-methoxyiminocyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87654004
1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87653063
1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006525
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
N-[(4-cyanophenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007349
4-(cyclohexylamino)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011671
4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238065
1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69012415
4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006827
N-[(3,4-dimethylphenyl)methyl]-1-ethyl-4-[(4-nitrosocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90978810

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 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) is 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(N[C@@H]3C[C@H]4CC[C@@H]3C4)c(C(=O)NCc3ccc(OC)cc3)cnc21.
What is the InChIKey of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is DYLQCXIWQILSCM-CSODHUTKSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-3-29-23-19(14-27-29)22(28-21-11-16-4-7-17(21)10-16)20(13-25-23)24(30)26-12-15-5-8-18(31-2)9-6-15/h5-6,8-9,13-14,16-17,21H,3-4,7,10-12H2,1-2H3,(H,25,28)(H,26,30)/t16-,17+,21+/m0/s1.
What are the key properties of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69006041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).