N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C24H28N6O — CID 19590060

IUPACN-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCCCn1nc(C)c2c(C(=O)Nc3cc(C)n(Cc4ccccc4)n3)cc(C)nc21
InChIInChI=1S/C24H28N6O/c1-5-6-12-29-23-22(18(4)27-29)20(13-16(2)25-23)24(31)26-21-14-17(3)30(28-21)15-19-10-8-7-9-11-19/h7-11,13-14H,5-6,12,15H2,1-4H3,(H,26,28,31)
InChIKeyDFQZNNPXQNRWFU-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.65
Rot. Bonds7

About N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 19590060) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID19590060
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC NameN-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCCCn1nc(C)c2c(C(=O)Nc3cc(C)n(Cc4ccccc4)n3)cc(C)nc21
InChIInChI=1S/C24H28N6O/c1-5-6-12-29-23-22(18(4)27-29)20(13-16(2)25-23)24(31)26-21-14-17(3)30(28-21)15-19-10-8-7-9-11-19/h7-11,13-14H,5-6,12,15H2,1-4H3,(H,26,28,31)
InChIKeyDFQZNNPXQNRWFU-UHFFFAOYSA-N
XLogP4.65
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3,6-dimethyl-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823444
N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821397
1-benzyl-N-(4-bromo-3-methylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823505
1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19589113
1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822095
1-butyl-N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590099
N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822693
1-butyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590216
1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854163
N-[2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822092
1-benzyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823462
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
CID 19335076

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 19590060) is N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCCCn1nc(C)c2c(C(=O)Nc3cc(C)n(Cc4ccccc4)n3)cc(C)nc21.
What is the InChIKey of N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is DFQZNNPXQNRWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-5-6-12-29-23-22(18(4)27-29)20(13-16(2)25-23)24(31)26-21-14-17(3)30(28-21)15-19-10-8-7-9-11-19/h7-11,13-14H,5-6,12,15H2,1-4H3,(H,26,28,31).
What are the key properties of N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19590060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).