(5R)-5-[(4-cyanophenyl)methyl]-N-[1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide

C30H25Cl2N7O3 — CID 155554081

IUPAC(5R)-5-[(4-cyanophenyl)methyl]-N-[1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)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(c4nc(C5CCC5)no4)CC3)n21
InChIInChI=1S/C30H25Cl2N7O3/c1-29(14-17-5-7-18(15-33)8-6-17)27(41)38(22-12-20(31)11-21(32)13-22)28-34-16-23(39(28)29)25(40)36-30(9-10-30)26-35-24(37-42-26)19-3-2-4-19/h5-8,11-13,16,19H,2-4,9-10,14H2,1H3,(H,36,40)/t29-/m1/s1
InChIKeyVATLFUUMDRXLTK-GDLZYMKVSA-N
MW602.48 g/mol
LogP5.77
Rot. Bonds7

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

(5R)-5-[(4-cyanophenyl)methyl]-N-[1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide (PubChem CID 155554081) has the molecular formula C30H25Cl2N7O3 and a molecular weight of 602.48 g/mol. Its IUPAC name is (5R)-5-[(4-cyanophenyl)methyl]-N-[1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)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-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
PubChem CID155554081
Molecular FormulaC30H25Cl2N7O3
Molecular Weight602.48 g/mol
Exact Mass601.14
IUPAC Name(5R)-5-[(4-cyanophenyl)methyl]-N-[1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)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(c4nc(C5CCC5)no4)CC3)n21
InChIInChI=1S/C30H25Cl2N7O3/c1-29(14-17-5-7-18(15-33)8-6-17)27(41)38(22-12-20(31)11-21(32)13-22)28-34-16-23(39(28)29)25(40)36-30(9-10-30)26-35-24(37-42-26)19-3-2-4-19/h5-8,11-13,16,19H,2-4,9-10,14H2,1H3,(H,36,40)/t29-/m1/s1
InChIKeyVATLFUUMDRXLTK-GDLZYMKVSA-N
XLogP5.77
TPSA129.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.48
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5R)-5-[(4-cyanophenyl)methyl]-N-[1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)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-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)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-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide (CID 155554081) is (5R)-5-[(4-cyanophenyl)methyl]-N-[1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)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-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)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-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)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(c4nc(C5CCC5)no4)CC3)n21.
What is the InChIKey of (5R)-5-[(4-cyanophenyl)methyl]-N-[1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?
The InChIKey is VATLFUUMDRXLTK-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H25Cl2N7O3/c1-29(14-17-5-7-18(15-33)8-6-17)27(41)38(22-12-20(31)11-21(32)13-22)28-34-16-23(39(28)29)25(40)36-30(9-10-30)26-35-24(37-42-26)19-3-2-4-19/h5-8,11-13,16,19H,2-4,9-10,14H2,1H3,(H,36,40)/t29-/m1/s1.
What are the key properties of (5R)-5-[(4-cyanophenyl)methyl]-N-[1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?
(5R)-5-[(4-cyanophenyl)methyl]-N-[1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide has a molecular weight of 602.48 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-cyanophenyl)methyl]-N-[1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide is sourced from PubChem (CID 155554081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).