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

C24H23ClN6O2 — CID 86567432

IUPAC4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCC(C)n1c(-c2ccnn2C)nc2c1C(c1ccc(Cl)cc1)N(c1ccc(=O)n(C)c1)C2=O
InChIInChI=1S/C24H23ClN6O2/c1-14(2)30-22-20(27-23(30)18-11-12-26-29(18)4)24(33)31(17-9-10-19(32)28(3)13-17)21(22)15-5-7-16(25)8-6-15/h5-14,21H,1-4H3
InChIKeyFYEHQUXVXRMVBS-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.97
Rot. Bonds4

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

4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 86567432) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
PubChem CID86567432
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCC(C)n1c(-c2ccnn2C)nc2c1C(c1ccc(Cl)cc1)N(c1ccc(=O)n(C)c1)C2=O
InChIInChI=1S/C24H23ClN6O2/c1-14(2)30-22-20(27-23(30)18-11-12-26-29(18)4)24(33)31(17-9-10-19(32)28(3)13-17)21(22)15-5-7-16(25)8-6-15/h5-14,21H,1-4H3
InChIKeyFYEHQUXVXRMVBS-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (CID 86567432) is 4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is CC(C)n1c(-c2ccnn2C)nc2c1C(c1ccc(Cl)cc1)N(c1ccc(=O)n(C)c1)C2=O.
What is the InChIKey of 4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The InChIKey is FYEHQUXVXRMVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-14(2)30-22-20(27-23(30)18-11-12-26-29(18)4)24(33)31(17-9-10-19(32)28(3)13-17)21(22)15-5-7-16(25)8-6-15/h5-14,21H,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one has a molecular weight of 462.94 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(1-methyl-6-oxo-3-pyridinyl)-2-(2-methylpyrazol-3-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 86567432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).