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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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).