N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide

C25H32N4O3 — CID 97256330

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cnc3c(c2)c(C)nn3C)[C@H]2CCCC[C@H]2C)cc1OC
InChIInChI=1S/C25H32N4O3/c1-16-8-6-7-9-21(16)29(15-18-10-11-22(31-4)23(12-18)32-5)25(30)19-13-20-17(2)27-28(3)24(20)26-14-19/h10-14,16,21H,6-9,15H2,1-5H3/t16-,21+/m1/s1
InChIKeyHCSGYRYURNIQQS-IERDGZPVSA-N
MW436.56 g/mol
LogP4.52
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 97256330) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID97256330
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cnc3c(c2)c(C)nn3C)[C@H]2CCCC[C@H]2C)cc1OC
InChIInChI=1S/C25H32N4O3/c1-16-8-6-7-9-21(16)29(15-18-10-11-22(31-4)23(12-18)32-5)25(30)19-13-20-17(2)27-28(3)24(20)26-14-19/h10-14,16,21H,6-9,15H2,1-5H3/t16-,21+/m1/s1
InChIKeyHCSGYRYURNIQQS-IERDGZPVSA-N
XLogP4.52
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

2-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 99786474
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-ethylamino]acetate
CID 61409505
N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 74238255
2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid
CID 120538073
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46545423
2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
CID 55000180
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]-1-methylurea
CID 86871289
N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 51077156
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 126780884
5-[[2-(5-bromo-2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 86879239
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 87013252

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 97256330) is N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide is COc1ccc(CN(C(=O)c2cnc3c(c2)c(C)nn3C)[C@H]2CCCC[C@H]2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is HCSGYRYURNIQQS-IERDGZPVSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-16-8-6-7-9-21(16)29(15-18-10-11-22(31-4)23(12-18)32-5)25(30)19-13-20-17(2)27-28(3)24(20)26-14-19/h10-14,16,21H,6-9,15H2,1-5H3/t16-,21+/m1/s1.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 97256330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).