5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

C29H28Cl2N4O3 — CID 138628163

IUPAC5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCCn1cc(N2C(=O)c3nc(-c4ccc(OC)cc4)n(C(C)C)c3C2c2ccc(Cl)cc2C)cc(Cl)c1=O
InChIInChI=1S/C29H28Cl2N4O3/c1-6-33-15-20(14-23(31)28(33)36)35-25(22-12-9-19(30)13-17(22)4)26-24(29(35)37)32-27(34(26)16(2)3)18-7-10-21(38-5)11-8-18/h7-16,25H,6H2,1-5H3
InChIKeyFXCLLYANVQHURH-UHFFFAOYSA-N
MW551.47 g/mol
LogP6.69
Rot. Bonds6

About 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 138628163) has the molecular formula C29H28Cl2N4O3 and a molecular weight of 551.47 g/mol. Its IUPAC name is 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

Compound Name5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
PubChem CID138628163
Molecular FormulaC29H28Cl2N4O3
Molecular Weight551.47 g/mol
Exact Mass550.15
IUPAC Name5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCCn1cc(N2C(=O)c3nc(-c4ccc(OC)cc4)n(C(C)C)c3C2c2ccc(Cl)cc2C)cc(Cl)c1=O
InChIInChI=1S/C29H28Cl2N4O3/c1-6-33-15-20(14-23(31)28(33)36)35-25(22-12-9-19(30)13-17(22)4)26-24(29(35)37)32-27(34(26)16(2)3)18-7-10-21(38-5)11-8-18/h7-16,25H,6H2,1-5H3
InChIKeyFXCLLYANVQHURH-UHFFFAOYSA-N
XLogP6.69
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.47
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one with MolForge

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Related Compounds

4-(4-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766987
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-(4-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 71678261
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chloro-2-methylphenyl)-2-[4-methoxy-2-(methylamino)pyrimidin-5-yl]-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one
CID 90058440
(6S)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chloro-2-methylphenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one
CID 90016040
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 137301305
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-[2-(3-hydroxy-3-methylazetidin-1-yl)-4-methoxypyrimidin-5-yl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766894
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567305
3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide
CID 137301304
2-[5-(aminomethyl)-2-methoxyphenyl]-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 71585278
3-[5-(3-chlorophenyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-methoxybenzonitrile
CID 86766986
(4R)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-2-(1,3-thiazol-2-yl)-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567503
1-(3-chloro-4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108665529

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The IUPAC name of 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (CID 138628163) is 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.
What is the SMILES notation for 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The canonical SMILES for 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is CCn1cc(N2C(=O)c3nc(-c4ccc(OC)cc4)n(C(C)C)c3C2c2ccc(Cl)cc2C)cc(Cl)c1=O.
What is the InChIKey of 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The InChIKey is FXCLLYANVQHURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4O3/c1-6-33-15-20(14-23(31)28(33)36)35-25(22-12-9-19(30)13-17(22)4)26-24(29(35)37)32-27(34(26)16(2)3)18-7-10-21(38-5)11-8-18/h7-16,25H,6H2,1-5H3.
What are the key properties of 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one has a molecular weight of 551.47 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 138628163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).