1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide

C24H24N4O2 — CID 86941781

IUPAC1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1
InChIInChI=1S/C24H24N4O2/c1-17(11-19-9-6-10-22(12-19)30-2)27-24(29)21-13-20-15-26-28(23(20)25-14-21)16-18-7-4-3-5-8-18/h3-10,12-15,17H,11,16H2,1-2H3,(H,27,29)
InChIKeyBZUBTJVUTDMEHA-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.85
Rot. Bonds7

About 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 86941781) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID86941781
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1
InChIInChI=1S/C24H24N4O2/c1-17(11-19-9-6-10-22(12-19)30-2)27-24(29)21-13-20-15-26-28(23(20)25-14-21)16-18-7-4-3-5-8-18/h3-10,12-15,17H,11,16H2,1-2H3,(H,27,29)
InChIKeyBZUBTJVUTDMEHA-UHFFFAOYSA-N
XLogP3.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300
1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide
CID 95073139
N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95056034
1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
CID 53084634
1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624443
1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 86941799
1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624200
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31116432
1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78891757
6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
CID 142841274

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 86941781) is 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide is COc1cccc(CC(C)NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1.
What is the InChIKey of 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BZUBTJVUTDMEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17(11-19-9-6-10-22(12-19)30-2)27-24(29)21-13-20-15-26-28(23(20)25-14-21)16-18-7-4-3-5-8-18/h3-10,12-15,17H,11,16H2,1-2H3,(H,27,29).
What are the key properties of 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 86941781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).