5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C25H22N4O2 — CID 135802731

IUPAC5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC(c3ccccc3)c3ccco3)cc12
InChIInChI=1S/C25H22N4O2/c1-17-21-15-19(25(30)27-24(21)29(28-17)20-11-6-3-7-12-20)16-26-23(22-13-8-14-31-22)18-9-4-2-5-10-18/h2-15,23,26H,16H2,1H3,(H,27,30)
InChIKeyGJMXNASKRUNKHO-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.49
Rot. Bonds6

About 5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135802731) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135802731
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC(c3ccccc3)c3ccco3)cc12
InChIInChI=1S/C25H22N4O2/c1-17-21-15-19(25(30)27-24(21)29(28-17)20-11-6-3-7-12-20)16-26-23(22-13-8-14-31-22)18-9-4-2-5-10-18/h2-15,23,26H,16H2,1H3,(H,27,30)
InChIKeyGJMXNASKRUNKHO-UHFFFAOYSA-N
XLogP4.49
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2-fluorophenyl)methylamino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135802727
5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135417990
3-methyl-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135749188
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135802716
5-[(2,5-diethoxyanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135802713
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755864
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755862
1-[4-(fluoromethyl)phenyl]-5-[[(4-fluorophenyl)methylamino]methyl]-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136500103
5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135993671
N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 135442636
1-(furan-2-yl)-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 51104814
3-(4-methylphenyl)-1-phenyl-5-[(pyridin-3-ylmethylamino)methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135495879

Frequently Asked Questions

What is the IUPAC name of 5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135802731) is 5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC(c3ccccc3)c3ccco3)cc12.
What is the InChIKey of 5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is GJMXNASKRUNKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-21-15-19(25(30)27-24(21)29(28-17)20-11-6-3-7-12-20)16-26-23(22-13-8-14-31-22)18-9-4-2-5-10-18/h2-15,23,26H,16H2,1H3,(H,27,30).
What are the key properties of 5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 410.48 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[furan-2-yl(phenyl)methyl]amino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135802731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).