(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide

C34H29Cl2N7O4 — CID 42635112

About (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide

(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide (PubChem CID 42635112) has the molecular formula C34H29Cl2N7O4 and a molecular weight of 670.56 g/mol. Its IUPAC name is (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
• PubChem CID: 42635112
• Molecular Formula: C34H29Cl2N7O4
• Molecular Weight: 670.56 g/mol
• Exact Mass: 669.17
• IUPAC Name: (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
• SMILES: COc1cccc(C2(NC(=O)C3(NC(=O)c4cnc5n4[C@](C)(Cc4ccc(C#N)cc4)C(=O)N5c4cc(Cl)cc(Cl)c4)CC3)CC2)n1
• InChI: InChI=1S/C34H29Cl2N7O4/c1-32(17-20-6-8-21(18-37)9-7-20)30(46)42(24-15-22(35)14-23(36)16-24)31-38-19-25(43(31)32)28(44)40-34(12-13-34)29(45)41-33(10-11-33)26-4-3-5-27(39-26)47-2/h3-9,14-16,19H,10-13,17H2,1-2H3,(H,40,44)(H,41,45)/t32-/m1/s1
• InChIKey: LQEAFUUNTCMWAH-JGCGQSQUSA-N
• XLogP: 5.17
• TPSA: 142.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.56
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?

The IUPAC name of (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide (CID 42635112) is (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide.

What is the SMILES notation for (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?

The canonical SMILES for (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide is COc1cccc(C2(NC(=O)C3(NC(=O)c4cnc5n4[C@](C)(Cc4ccc(C#N)cc4)C(=O)N5c4cc(Cl)cc(Cl)c4)CC3)CC2)n1.

What is the InChIKey of (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?

The InChIKey is LQEAFUUNTCMWAH-JGCGQSQUSA-N. The full InChI is InChI=1S/C34H29Cl2N7O4/c1-32(17-20-6-8-21(18-37)9-7-20)30(46)42(24-15-22(35)14-23(36)16-24)31-38-19-25(43(31)32)28(44)40-34(12-13-34)29(45)41-33(10-11-33)26-4-3-5-27(39-26)47-2/h3-9,14-16,19H,10-13,17H2,1-2H3,(H,40,44)(H,41,45)/t32-/m1/s1.

What are the key properties of (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?

(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide has a molecular weight of 670.56 g/mol, XLogP of 5.17, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-[[1-(6-methoxy-2-pyridinyl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide is sourced from PubChem (CID 42635112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).