(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide

C33H26Cl2FN7O3 — CID 42634056

About (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide

(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide (PubChem CID 42634056) has the molecular formula C33H26Cl2FN7O3 and a molecular weight of 658.52 g/mol. Its IUPAC name is (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide
• PubChem CID: 42634056
• Molecular Formula: C33H26Cl2FN7O3
• Molecular Weight: 658.52 g/mol
• Exact Mass: 657.15
• IUPAC Name: (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide
• SMILES: C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)c(F)c(Cl)c2)c2ncc(C(=O)NC3(C(=O)NC4(c5ccccn5)CC4)CC3)n21
• InChI: InChI=1S/C33H26Cl2FN7O3/c1-31(16-19-5-7-20(17-37)8-6-19)29(46)42(21-14-22(34)26(36)23(35)15-21)30-39-18-24(43(30)31)27(44)40-33(11-12-33)28(45)41-32(9-10-32)25-4-2-3-13-38-25/h2-8,13-15,18H,9-12,16H2,1H3,(H,40,44)(H,41,45)/t31-/m1/s1
• InChIKey: OQIFGZYXDOWAHI-WJOKGBTCSA-N
• XLogP: 5.30
• TPSA: 133.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.52
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide?

The IUPAC name of (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide (CID 42634056) is (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide.

What is the SMILES notation for (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide?

The canonical SMILES for (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide is C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)c(F)c(Cl)c2)c2ncc(C(=O)NC3(C(=O)NC4(c5ccccn5)CC4)CC3)n21.

What is the InChIKey of (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide?

The InChIKey is OQIFGZYXDOWAHI-WJOKGBTCSA-N. The full InChI is InChI=1S/C33H26Cl2FN7O3/c1-31(16-19-5-7-20(17-37)8-6-19)29(46)42(21-14-22(34)26(36)23(35)15-21)30-39-18-24(43(30)31)27(44)40-33(11-12-33)28(45)41-32(9-10-32)25-4-2-3-13-38-25/h2-8,13-15,18H,9-12,16H2,1H3,(H,40,44)(H,41,45)/t31-/m1/s1.

What are the key properties of (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide?

(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide has a molecular weight of 658.52 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxo-N-[1-[(1-pyridin-2-ylcyclopropyl)carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide is sourced from PubChem (CID 42634056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).