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

C24H25ClN4O2 — CID 86567506

IUPAC4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCc1cc(N2C(=O)c3nc(C4CC4)n(C(C)C)c3C2c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C24H25ClN4O2/c1-13(2)28-21-19(26-22(28)16-5-6-16)24(31)29(18-11-14(3)23(30)27(4)12-18)20(21)15-7-9-17(25)10-8-15/h7-13,16,20H,5-6H2,1-4H3
InChIKeyLMLJGVCFCYGAST-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.75
Rot. Bonds4

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

4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 86567506) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
PubChem CID86567506
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCc1cc(N2C(=O)c3nc(C4CC4)n(C(C)C)c3C2c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C24H25ClN4O2/c1-13(2)28-21-19(26-22(28)16-5-6-16)24(31)29(18-11-14(3)23(30)27(4)12-18)20(21)15-7-9-17(25)10-8-15/h7-13,16,20H,5-6H2,1-4H3
InChIKeyLMLJGVCFCYGAST-UHFFFAOYSA-N
XLogP4.75
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopiperidin-1-yl)-1-[(2-chlorophenyl)methyl]-5-methyl-1H,4H,5H,6H-pyrrolo[3,4-d]imidazole-4,6-dione
CID 23646508
N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
CID 20780256
5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(5-methoxy-2-oxo-5H-pyrimidin-4-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766918
5-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766921
5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766925
5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(5-methoxy-1-methyl-2-oxo-4-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766926
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-(2-ethylphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766993
N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
CID 45267039
N-[(3-chlorophenyl)methyl]-N-[[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methylimidazole-4-carboxamide
CID 45270377
2-(4-Chlorophenyl)-3-(1-methylimidazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
CID 118725547
2-(4-Chlorophenyl)-3-(3-methylimidazole-4-carbonyl)-3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-7-one
CID 118725548
7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one
CID 155544211

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (CID 86567506) is 4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is Cc1cc(N2C(=O)c3nc(C4CC4)n(C(C)C)c3C2c2ccc(Cl)cc2)cn(C)c1=O.
What is the InChIKey of 4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The InChIKey is LMLJGVCFCYGAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-13(2)28-21-19(26-22(28)16-5-6-16)24(31)29(18-11-14(3)23(30)27(4)12-18)20(21)15-7-9-17(25)10-8-15/h7-13,16,20H,5-6H2,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one has a molecular weight of 436.94 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 86567506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).