4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one

C26H23ClN4O3 — CID 91826298

IUPAC4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc(Cn2nc3c(c2C)C(c2ccc(Cl)cc2)N(c2ccc(=O)n(C)c2)C3=O)cc1
InChIInChI=1S/C26H23ClN4O3/c1-16-23-24(28-30(16)14-17-4-11-21(34-3)12-5-17)26(33)31(20-10-13-22(32)29(2)15-20)25(23)18-6-8-19(27)9-7-18/h4-13,15,25H,14H2,1-3H3
InChIKeyQCEZPHVRSVGBML-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.35
Rot. Bonds5

About 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one

4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 91826298) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID91826298
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC Name4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc(Cn2nc3c(c2C)C(c2ccc(Cl)cc2)N(c2ccc(=O)n(C)c2)C3=O)cc1
InChIInChI=1S/C26H23ClN4O3/c1-16-23-24(28-30(16)14-17-4-11-21(34-3)12-5-17)26(33)31(20-10-13-22(32)29(2)15-20)25(23)18-6-8-19(27)9-7-18/h4-13,15,25H,14H2,1-3H3
InChIKeyQCEZPHVRSVGBML-UHFFFAOYSA-N
XLogP4.35
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 91826298) is 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one is COc1ccc(Cn2nc3c(c2C)C(c2ccc(Cl)cc2)N(c2ccc(=O)n(C)c2)C3=O)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is QCEZPHVRSVGBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-16-23-24(28-30(16)14-17-4-11-21(34-3)12-5-17)26(33)31(20-10-13-22(32)29(2)15-20)25(23)18-6-8-19(27)9-7-18/h4-13,15,25H,14H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 474.95 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 91826298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).