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

C38H34Cl2N8O4 — CID 67390530

IUPAC(5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
SMILESC[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)NC3(C(=O)NC4(c5cc(CNC(=O)C6CC6)ccn5)CC4)CC3)n21
InChIInChI=1S/C38H34Cl2N8O4/c1-36(18-22-2-4-23(19-41)5-3-22)34(52)47(28-16-26(39)15-27(40)17-28)35-44-21-29(48(35)36)32(50)45-38(11-12-38)33(51)46-37(9-10-37)30-14-24(8-13-42-30)20-43-31(49)25-6-7-25/h2-5,8,13-17,21,25H,6-7,9-12,18,20H2,1H3,(H,43,49)(H,45,50)(H,46,51)/t36-/m1/s1
InChIKeyVRVCZSKCQBMXIJ-PSXMRANNSA-N
MW737.65 g/mol
LogP5.19
Rot. Bonds11

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

(5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide (PubChem CID 67390530) has the molecular formula C38H34Cl2N8O4 and a molecular weight of 737.65 g/mol. Its IUPAC name is (5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
PubChem CID67390530
Molecular FormulaC38H34Cl2N8O4
Molecular Weight737.65 g/mol
Exact Mass736.21
IUPAC Name(5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
SMILESC[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)NC3(C(=O)NC4(c5cc(CNC(=O)C6CC6)ccn5)CC4)CC3)n21
InChIInChI=1S/C38H34Cl2N8O4/c1-36(18-22-2-4-23(19-41)5-3-22)34(52)47(28-16-26(39)15-27(40)17-28)35-44-21-29(48(35)36)32(50)45-38(11-12-38)33(51)46-37(9-10-37)30-14-24(8-13-42-30)20-43-31(49)25-6-7-25/h2-5,8,13-17,21,25H,6-7,9-12,18,20H2,1H3,(H,43,49)(H,45,50)(H,46,51)/t36-/m1/s1
InChIKeyVRVCZSKCQBMXIJ-PSXMRANNSA-N
XLogP5.19
TPSA162.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.65
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?
The IUPAC name of (5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide (CID 67390530) is (5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide.
What is the SMILES notation for (5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?
The canonical SMILES for (5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide is C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)NC3(C(=O)NC4(c5cc(CNC(=O)C6CC6)ccn5)CC4)CC3)n21.
What is the InChIKey of (5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?
The InChIKey is VRVCZSKCQBMXIJ-PSXMRANNSA-N. The full InChI is InChI=1S/C38H34Cl2N8O4/c1-36(18-22-2-4-23(19-41)5-3-22)34(52)47(28-16-26(39)15-27(40)17-28)35-44-21-29(48(35)36)32(50)45-38(11-12-38)33(51)46-37(9-10-37)30-14-24(8-13-42-30)20-43-31(49)25-6-7-25/h2-5,8,13-17,21,25H,6-7,9-12,18,20H2,1H3,(H,43,49)(H,45,50)(H,46,51)/t36-/m1/s1.
What are the key properties of (5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?
(5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide has a molecular weight of 737.65 g/mol, XLogP of 5.19, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-cyanophenyl)methyl]-N-[1-[[1-[4-[(cyclopropanecarbonylamino)methyl]-2-pyridinyl]cyclopropyl]carbamoyl]cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide is sourced from PubChem (CID 67390530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).