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

C26H23N5O — CID 135495879

IUPAC3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCc4cccnc4)cc23)cc1
InChIInChI=1S/C26H23N5O/c1-18-9-11-20(12-10-18)24-23-14-21(17-28-16-19-6-5-13-27-15-19)26(32)29-25(23)31(30-24)22-7-3-2-4-8-22/h2-15,28H,16-17H2,1H3,(H,29,32)
InChIKeyRFXLMVOXIWWEQF-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.37
Rot. Bonds6

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

3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135495879) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135495879
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCc4cccnc4)cc23)cc1
InChIInChI=1S/C26H23N5O/c1-18-9-11-20(12-10-18)24-23-14-21(17-28-16-19-6-5-13-27-15-19)26(32)29-25(23)31(30-24)22-7-3-2-4-8-22/h2-15,28H,16-17H2,1H3,(H,29,32)
InChIKeyRFXLMVOXIWWEQF-UHFFFAOYSA-N
XLogP4.37
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-5-[(4-methylanilino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135973786
5-[(4-cyclohexylanilino)methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135418028
5-[[(2-fluorophenyl)methylamino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135802727
5-[(3,4-dimethylanilino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135418090
5-[(benzylamino)methyl]-3-tert-butyl-1-(4-chlorophenyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135880351
5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135417990
1-[4-(fluoromethyl)phenyl]-5-[[(4-fluorophenyl)methylamino]methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136500103
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135802716
N-[(2-methyl-5-phenyltriazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 119027458
3-(3-fluorocyclohexyl)-5-[[(4-fluorophenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[3,4-b]pyridin-6-one
CID 143498105
5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135802731
6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine
CID 25337273

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135495879) is 3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCc4cccnc4)cc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is RFXLMVOXIWWEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-18-9-11-20(12-10-18)24-23-14-21(17-28-16-19-6-5-13-27-15-19)26(32)29-25(23)31(30-24)22-7-3-2-4-8-22/h2-15,28H,16-17H2,1H3,(H,29,32).
What are the key properties of 3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one?
3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 421.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135495879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).