4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one

C26H27ClN6O2 — CID 142799903

About 4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one

4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 142799903) has the molecular formula C26H27ClN6O2 and a molecular weight of 491.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one
• PubChem CID: 142799903
• Molecular Formula: C26H27ClN6O2
• Molecular Weight: 491.00 g/mol
• Exact Mass: 490.19
• IUPAC Name: 4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one
• SMILES: Cc1cc(N2C(=O)C3=C(C2c2ccc(Cl)cc2)N(C(C)C)C(C2=CCOC2)N3)cn2c(C)nnc12
• InChI: InChI=1S/C26H27ClN6O2/c1-14(2)32-23-21(28-25(32)18-9-10-35-13-18)26(34)33(22(23)17-5-7-19(27)8-6-17)20-11-15(3)24-30-29-16(4)31(24)12-20/h5-9,11-12,14,22,25,28H,10,13H2,1-4H3
• InChIKey: AEWHTOZMVZQAKT-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.00
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one?

The IUPAC name of 4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one (CID 142799903) is 4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one.

What is the SMILES notation for 4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one?

The canonical SMILES for 4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one is Cc1cc(N2C(=O)C3=C(C2c2ccc(Cl)cc2)N(C(C)C)C(C2=CCOC2)N3)cn2c(C)nnc12.

What is the InChIKey of 4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one?

The InChIKey is AEWHTOZMVZQAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O2/c1-14(2)32-23-21(28-25(32)18-9-10-35-13-18)26(34)33(22(23)17-5-7-19(27)8-6-17)20-11-15(3)24-30-29-16(4)31(24)12-20/h5-9,11-12,14,22,25,28H,10,13H2,1-4H3.

What are the key properties of 4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one?

4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one has a molecular weight of 491.00 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 142799903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).