4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one

C32H26N6O4 — CID 135524286

IUPAC4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2=NNC(c3cn(-c4ccccc4)nc3-c3c(O)c4ccccc4n(C)c3=O)C2)c(O)c2ccccc21
InChIInChI=1S/C32H26N6O4/c1-36-24-14-8-6-12-19(24)29(39)26(31(36)41)23-16-22(33-34-23)21-17-38(18-10-4-3-5-11-18)35-28(21)27-30(40)20-13-7-9-15-25(20)37(2)32(27)42/h3-15,17,22,33,39-40H,16H2,1-2H3
InChIKeyCTIYZYBKDQXMPV-UHFFFAOYSA-N
MW558.60 g/mol
LogP4.09
Rot. Bonds4

About 4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one

4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one (PubChem CID 135524286) has the molecular formula C32H26N6O4 and a molecular weight of 558.60 g/mol. Its IUPAC name is 4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one
PubChem CID135524286
Molecular FormulaC32H26N6O4
Molecular Weight558.60 g/mol
Exact Mass558.20
IUPAC Name4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2=NNC(c3cn(-c4ccccc4)nc3-c3c(O)c4ccccc4n(C)c3=O)C2)c(O)c2ccccc21
InChIInChI=1S/C32H26N6O4/c1-36-24-14-8-6-12-19(24)29(39)26(31(36)41)23-16-22(33-34-23)21-17-38(18-10-4-3-5-11-18)35-28(21)27-30(40)20-13-7-9-15-25(20)37(2)32(27)42/h3-15,17,22,33,39-40H,16H2,1-2H3
InChIKeyCTIYZYBKDQXMPV-UHFFFAOYSA-N
XLogP4.09
TPSA126.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.60
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one?
The IUPAC name of 4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one (CID 135524286) is 4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one is Cn1c(=O)c(C2=NNC(c3cn(-c4ccccc4)nc3-c3c(O)c4ccccc4n(C)c3=O)C2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one?
The InChIKey is CTIYZYBKDQXMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N6O4/c1-36-24-14-8-6-12-19(24)29(39)26(31(36)41)23-16-22(33-34-23)21-17-38(18-10-4-3-5-11-18)35-28(21)27-30(40)20-13-7-9-15-25(20)37(2)32(27)42/h3-15,17,22,33,39-40H,16H2,1-2H3.
What are the key properties of 4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one?
4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one has a molecular weight of 558.60 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one is sourced from PubChem (CID 135524286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).