N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C21H26N4O — CID 46566637

IUPACN-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)cc12
InChIInChI=1S/C21H26N4O/c1-14-18-11-16(12-22-19(18)25(6)23-14)20(26)24(5)13-15-7-9-17(10-8-15)21(2,3)4/h7-12H,13H2,1-6H3
InChIKeyLDSKSAVNELHKDV-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.85
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 46566637) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID46566637
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)cc12
InChIInChI=1S/C21H26N4O/c1-14-18-11-16(12-22-19(18)25(6)23-14)20(26)24(5)13-15-7-9-17(10-8-15)21(2,3)4/h7-12H,13H2,1-6H3
InChIKeyLDSKSAVNELHKDV-UHFFFAOYSA-N
XLogP3.85
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid
CID 120538073
[2-(4-tert-butylphenyl)-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46513987
1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31337743
N,1,3-trimethyl-N-[2-(2-methylphenoxy)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31342976
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 51868607
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347215
N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 111122114
N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31342972
N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78845162
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942
1,3-dimethyl-N-phenyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78847401
N-[4-(2-hydroxyethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 110902184

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 46566637) is N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)cc12.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is LDSKSAVNELHKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-18-11-16(12-22-19(18)25(6)23-14)20(26)24(5)13-15-7-9-17(10-8-15)21(2,3)4/h7-12H,13H2,1-6H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46566637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).