N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C29H30N6O2 — CID 55491455

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1nccn1C
InChIInChI=1S/C29H30N6O2/c1-18(2)35-27-23(17-31-35)22(16-24(32-27)20-11-7-6-10-19(20)3)29(36)33-26(28-30-14-15-34(28)4)21-12-8-9-13-25(21)37-5/h6-18,26H,1-5H3,(H,33,36)
InChIKeyWZDUZDQMAHIJRB-UHFFFAOYSA-N
MW494.60 g/mol
LogP5.25
Rot. Bonds7

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55491455) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55491455
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1nccn1C
InChIInChI=1S/C29H30N6O2/c1-18(2)35-27-23(17-31-35)22(16-24(32-27)20-11-7-6-10-19(20)3)29(36)33-26(28-30-14-15-34(28)4)21-12-8-9-13-25(21)37-5/h6-18,26H,1-5H3,(H,33,36)
InChIKeyWZDUZDQMAHIJRB-UHFFFAOYSA-N
XLogP5.25
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55494038
6-(furan-2-yl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46677457
N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55724574
6-(2-methylphenyl)-1-propan-2-yl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493577
6-(2-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17468697
2-[[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78835736
2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide
CID 51728102
N-[(2R)-2-(ethylamino)propyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654233
6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95689858
6-(2-methylphenyl)-1-propan-2-yl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55847840
N-(2-acetamido-4,5-difluorophenyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52846168
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55491455) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1C(NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WZDUZDQMAHIJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-18(2)35-27-23(17-31-35)22(16-24(32-27)20-11-7-6-10-19(20)3)29(36)33-26(28-30-14-15-34(28)4)21-12-8-9-13-25(21)37-5/h6-18,26H,1-5H3,(H,33,36).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55491455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).