6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one

C24H23ClN6O2 — CID 86567711

IUPAC6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one
SMILESCCn1c(-c2ccnn2C)nc2c1C(=O)N(c1cc(C)c(=O)n(C)c1)C2c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN6O2/c1-5-30-21-19(27-22(30)18-10-11-26-29(18)4)20(15-6-8-16(25)9-7-15)31(24(21)33)17-12-14(2)23(32)28(3)13-17/h6-13,20H,5H2,1-4H3
InChIKeySUIIIOQGACLJMI-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.71
Rot. Bonds4

About 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one

6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one (PubChem CID 86567711) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one
PubChem CID86567711
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one
SMILESCCn1c(-c2ccnn2C)nc2c1C(=O)N(c1cc(C)c(=O)n(C)c1)C2c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN6O2/c1-5-30-21-19(27-22(30)18-10-11-26-29(18)4)20(15-6-8-16(25)9-7-15)31(24(21)33)17-12-14(2)23(32)28(3)13-17/h6-13,20H,5H2,1-4H3
InChIKeySUIIIOQGACLJMI-UHFFFAOYSA-N
XLogP3.71
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one?
The IUPAC name of 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one (CID 86567711) is 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one is CCn1c(-c2ccnn2C)nc2c1C(=O)N(c1cc(C)c(=O)n(C)c1)C2c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one?
The InChIKey is SUIIIOQGACLJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-5-30-21-19(27-22(30)18-10-11-26-29(18)4)20(15-6-8-16(25)9-7-15)31(24(21)33)17-12-14(2)23(32)28(3)13-17/h6-13,20H,5H2,1-4H3.
What are the key properties of 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one?
6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one has a molecular weight of 462.94 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-2-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]imidazol-4-one is sourced from PubChem (CID 86567711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).