1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide

C25H26N4O — CID 20855322

IUPAC1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)c3c(C)nn(-c4ccc(C)c(C)c4)c3n2)cc1
InChIInChI=1S/C25H26N4O/c1-15-6-9-20(10-7-15)14-26-25(30)22-13-18(4)23-19(5)28-29(24(23)27-22)21-11-8-16(2)17(3)12-21/h6-13H,14H2,1-5H3,(H,26,30)
InChIKeyFIYDTWZSINTMHW-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.89
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide

1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 20855322) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID20855322
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)c3c(C)nn(-c4ccc(C)c(C)c4)c3n2)cc1
InChIInChI=1S/C25H26N4O/c1-15-6-9-20(10-7-15)14-26-25(30)22-13-18(4)23-19(5)28-29(24(23)27-22)21-11-8-16(2)17(3)12-21/h6-13H,14H2,1-5H3,(H,26,30)
InChIKeyFIYDTWZSINTMHW-UHFFFAOYSA-N
XLogP4.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 23603939
1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308016
2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
CID 50791670
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-methylphenyl)propanamide
CID 23603974
1-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 45498528
4-chloro-1-(4-fluorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626855
4-chloro-N-[(4-fluorophenyl)methyl]-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627313
1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928125
1-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858321
2-(2,5-dimethylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327931
2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109360003
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372798

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide (CID 20855322) is 1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide is Cc1ccc(CNC(=O)c2cc(C)c3c(C)nn(-c4ccc(C)c(C)c4)c3n2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is FIYDTWZSINTMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-15-6-9-20(10-7-15)14-26-25(30)22-13-18(4)23-19(5)28-29(24(23)27-22)21-11-8-16(2)17(3)12-21/h6-13H,14H2,1-5H3,(H,26,30).
What are the key properties of 1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide?
1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3,4-dimethyl-N-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 20855322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).