[6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone

C25H24N4O — CID 20939583

IUPAC[6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCCC3)c3c(-c4ccccc4)[nH]nc3n2)cc1
InChIInChI=1S/C25H24N4O/c1-17-10-12-18(13-11-17)21-16-20(25(30)29-14-6-3-7-15-29)22-23(27-28-24(22)26-21)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,26,27,28)
InChIKeySAGPHGIESUYCGG-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.23
Rot. Bonds3

About [6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone

[6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone (PubChem CID 20939583) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is [6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
PubChem CID20939583
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCCC3)c3c(-c4ccccc4)[nH]nc3n2)cc1
InChIInChI=1S/C25H24N4O/c1-17-10-12-18(13-11-17)21-16-20(25(30)29-14-6-3-7-15-29)22-23(27-28-24(22)26-21)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,26,27,28)
InChIKeySAGPHGIESUYCGG-UHFFFAOYSA-N
XLogP5.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

3-(4-methylphenyl)-6-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 126458786
6-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548804
azepan-1-yl-[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44823238
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684834
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548747
4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid
CID 137071534
6-(4-chlorophenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548743
6-(4-carboxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 155684732
3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 71821260
[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 17386031

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone (CID 20939583) is [6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone is Cc1ccc(-c2cc(C(=O)N3CCCCC3)c3c(-c4ccccc4)[nH]nc3n2)cc1.
What is the InChIKey of [6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is SAGPHGIESUYCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-17-10-12-18(13-11-17)21-16-20(25(30)29-14-6-3-7-15-29)22-23(27-28-24(22)26-21)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,26,27,28).
What are the key properties of [6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone?
[6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 396.49 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 20939583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).