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

C18H14ClFN4O2 — CID 86293917

IUPAC4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCn1cc2c(n1)C(=O)N(c1cc(F)c(=O)n(C)c1)C2c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFN4O2/c1-22-8-12(7-14(20)17(22)25)24-16(10-3-5-11(19)6-4-10)13-9-23(2)21-15(13)18(24)26/h3-9,16H,1-2H3
InChIKeyCESXVLQJLJLUOM-UHFFFAOYSA-N
MW372.79 g/mol
LogP2.66
Rot. Bonds2

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

4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 86293917) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID86293917
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCn1cc2c(n1)C(=O)N(c1cc(F)c(=O)n(C)c1)C2c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFN4O2/c1-22-8-12(7-14(20)17(22)25)24-16(10-3-5-11(19)6-4-10)13-9-23(2)21-15(13)18(24)26/h3-9,16H,1-2H3
InChIKeyCESXVLQJLJLUOM-UHFFFAOYSA-N
XLogP2.66
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 86293917) is 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one is Cn1cc2c(n1)C(=O)N(c1cc(F)c(=O)n(C)c1)C2c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is CESXVLQJLJLUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-22-8-12(7-14(20)17(22)25)24-16(10-3-5-11(19)6-4-10)13-9-23(2)21-15(13)18(24)26/h3-9,16H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 372.79 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2-methyl-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 86293917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).