5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

C28H26Cl2N4O3 — CID 86766870

IUPAC5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCOc1ccc(-c2nc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1
InChIInChI=1S/C28H26Cl2N4O3/c1-15(2)33-25-23(32-26(33)20-12-13-22(36-4)31-27(20)37-5)28(35)34(21-14-19(30)9-6-16(21)3)24(25)17-7-10-18(29)11-8-17/h6-15,24H,1-5H3
InChIKeyGEULGLPILCKMCV-UHFFFAOYSA-N
MW537.45 g/mol
LogP6.91
Rot. Bonds6

About 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 86766870) has the molecular formula C28H26Cl2N4O3 and a molecular weight of 537.45 g/mol. Its IUPAC name is 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

Compound Name5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
PubChem CID86766870
Molecular FormulaC28H26Cl2N4O3
Molecular Weight537.45 g/mol
Exact Mass536.14
IUPAC Name5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCOc1ccc(-c2nc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1
InChIInChI=1S/C28H26Cl2N4O3/c1-15(2)33-25-23(32-26(33)20-12-13-22(36-4)31-27(20)37-5)28(35)34(21-14-19(30)9-6-16(21)3)24(25)17-7-10-18(29)11-8-17/h6-15,24H,1-5H3
InChIKeyGEULGLPILCKMCV-UHFFFAOYSA-N
XLogP6.91
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.45
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Siremadlin
CID 71678098
(4~{S})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one
CID 71678945
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 71678601
5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 71678942
5-(5-chloro-1-methyl-2-oxopyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 78146999
P53-MDM2 inhibitor AV-15a
CID 78147351
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-(5-fluoro-2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766851
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-(2-fluoro-6-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766852
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-(4-methoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766868
(4~{S})-4-(4-chlorophenyl)-5-[(1~{S})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one
CID 138753250
(4S)-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 145989243
(4S)-4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 145989532

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The IUPAC name of 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (CID 86766870) is 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.
What is the SMILES notation for 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The canonical SMILES for 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is COc1ccc(-c2nc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1.
What is the InChIKey of 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The InChIKey is GEULGLPILCKMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O3/c1-15(2)33-25-23(32-26(33)20-12-13-22(36-4)31-27(20)37-5)28(35)34(21-14-19(30)9-6-16(21)3)24(25)17-7-10-18(29)11-8-17/h6-15,24H,1-5H3.
What are the key properties of 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one has a molecular weight of 537.45 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2,6-dimethoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 86766870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).