5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C27H24N4O — CID 135418010

IUPAC5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCc4ccccc4)cc23)cc1
InChIInChI=1S/C27H24N4O/c1-19-12-14-21(15-13-19)25-24-16-22(18-28-17-20-8-4-2-5-9-20)27(32)29-26(24)31(30-25)23-10-6-3-7-11-23/h2-16,28H,17-18H2,1H3,(H,29,32)
InChIKeyONNPHLSASLYLQP-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.98
Rot. Bonds6

About 5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135418010) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135418010
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCc4ccccc4)cc23)cc1
InChIInChI=1S/C27H24N4O/c1-19-12-14-21(15-13-19)25-24-16-22(18-28-17-20-8-4-2-5-9-20)27(32)29-26(24)31(30-25)23-10-6-3-7-11-23/h2-16,28H,17-18H2,1H3,(H,29,32)
InChIKeyONNPHLSASLYLQP-UHFFFAOYSA-N
XLogP4.98
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
2-(4-Methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983740
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
Difenamizole
CID 65695
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 2453580
1-(4-benzylphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869422
3-Methyl-5-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875704
3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 137084692
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-fluoro-benzamide
CID 11451163

Frequently Asked Questions

What is the IUPAC name of 5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135418010) is 5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCc4ccccc4)cc23)cc1.
What is the InChIKey of 5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ONNPHLSASLYLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O/c1-19-12-14-21(15-13-19)25-24-16-22(18-28-17-20-8-4-2-5-9-20)27(32)29-26(24)31(30-25)23-10-6-3-7-11-23/h2-16,28H,17-18H2,1H3,(H,29,32).
What are the key properties of 5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 420.52 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(benzylamino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135418010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).