3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C26H22N4O4 — CID 10161317

IUPAC3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(C)=O)c3c2C(=O)N(c2ccc(-n4ccccc4=O)cc2)CC3)cc1
InChIInChI=1S/C26H22N4O4/c1-17(31)24-22-14-16-29(19-8-6-18(7-9-19)28-15-4-3-5-23(28)32)26(33)25(22)30(27-24)20-10-12-21(34-2)13-11-20/h3-13,15H,14,16H2,1-2H3
InChIKeyRQWSCVQQVWAFMP-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.44
Rot. Bonds5

About 3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 10161317) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is 3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID10161317
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(C)=O)c3c2C(=O)N(c2ccc(-n4ccccc4=O)cc2)CC3)cc1
InChIInChI=1S/C26H22N4O4/c1-17(31)24-22-14-16-29(19-8-6-18(7-9-19)28-15-4-3-5-23(28)32)26(33)25(22)30(27-24)20-10-12-21(34-2)13-11-20/h3-13,15H,14,16H2,1-2H3
InChIKeyRQWSCVQQVWAFMP-UHFFFAOYSA-N
XLogP3.44
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 10161317) is 3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(C)=O)c3c2C(=O)N(c2ccc(-n4ccccc4=O)cc2)CC3)cc1.
What is the InChIKey of 3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is RQWSCVQQVWAFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-17(31)24-22-14-16-29(19-8-6-18(7-9-19)28-15-4-3-5-23(28)32)26(33)25(22)30(27-24)20-10-12-21(34-2)13-11-20/h3-13,15H,14,16H2,1-2H3.
What are the key properties of 3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 454.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 10161317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).