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

C28H28N6O — CID 46650100

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(Cn2ncc3c(C(=O)N(C)Cc4cnn(Cc5ccccc5)c4)cc(C)nc32)cc1
InChIInChI=1S/C28H28N6O/c1-20-9-11-23(12-10-20)19-34-27-26(15-30-34)25(13-21(2)31-27)28(35)32(3)16-24-14-29-33(18-24)17-22-7-5-4-6-8-22/h4-15,18H,16-17,19H2,1-3H3
InChIKeyOXAUQTSNDITWTQ-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.61
Rot. Bonds7

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

N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 46650100) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID46650100
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(Cn2ncc3c(C(=O)N(C)Cc4cnn(Cc5ccccc5)c4)cc(C)nc32)cc1
InChIInChI=1S/C28H28N6O/c1-20-9-11-23(12-10-20)19-34-27-26(15-30-34)25(13-21(2)31-27)28(35)32(3)16-24-14-29-33(18-24)17-22-7-5-4-6-8-22/h4-15,18H,16-17,19H2,1-3H3
InChIKeyOXAUQTSNDITWTQ-UHFFFAOYSA-N
XLogP4.61
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,6-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46636760
N-[(1-benzylpyrazol-4-yl)methyl]-5-chloro-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 31798730
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 30767329
N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide
CID 33258382
N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55866076
6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16793223
N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30297754
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 9406480
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea
CID 17488706
N-[(4-bromothiophen-2-yl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55780922

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 46650100) is N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1ccc(Cn2ncc3c(C(=O)N(C)Cc4cnn(Cc5ccccc5)c4)cc(C)nc32)cc1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is OXAUQTSNDITWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-20-9-11-23(12-10-20)19-34-27-26(15-30-34)25(13-21(2)31-27)28(35)32(3)16-24-14-29-33(18-24)17-22-7-5-4-6-8-22/h4-15,18H,16-17,19H2,1-3H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46650100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).