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

C19H16ClFN4O2 — CID 86294277

IUPAC4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1c2c(nn1C)C(=O)N(c1cc(F)c(=O)n(C)c1)C2c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClFN4O2/c1-10-15-16(22-24(10)3)19(27)25(13-8-14(21)18(26)23(2)9-13)17(15)11-4-6-12(20)7-5-11/h4-9,17H,1-3H3
InChIKeyVJPKOWZJHFRYJT-UHFFFAOYSA-N
MW386.81 g/mol
LogP2.97
Rot. Bonds2

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

4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 86294277) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID86294277
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1c2c(nn1C)C(=O)N(c1cc(F)c(=O)n(C)c1)C2c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClFN4O2/c1-10-15-16(22-24(10)3)19(27)25(13-8-14(21)18(26)23(2)9-13)17(15)11-4-6-12(20)7-5-11/h4-9,17H,1-3H3
InChIKeyVJPKOWZJHFRYJT-UHFFFAOYSA-N
XLogP2.97
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 71586366
(10S)-5-[(4-chlorophenyl)methyl]-6-methyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3,6,8-trien-2-one
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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)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 86294277) is 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2,3-dimethyl-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)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one is Cc1c2c(nn1C)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)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is VJPKOWZJHFRYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-10-15-16(22-24(10)3)19(27)25(13-8-14(21)18(26)23(2)9-13)17(15)11-4-6-12(20)7-5-11/h4-9,17H,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
4-(4-chlorophenyl)-5-(5-fluoro-1-methyl-6-oxo-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 386.81 g/mol, XLogP of 2.97, 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)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 86294277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).