5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide

C32H27F2N7O3S — CID 167061686

IUPAC5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide
SMILESCc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2-c1nc(C2=CN=C(C(N)=O)CC2)cs1
InChIInChI=1S/C32H27F2N7O3S/c1-16-29(17(2)44-39-16)18-7-11-26-24(12-18)37-31(27-4-3-5-28(42)40(27)20-8-9-21(33)22(34)13-20)41(26)32-38-25(15-45-32)19-6-10-23(30(35)43)36-14-19/h7-9,11-15,27H,3-6,10H2,1-2H3,(H2,35,43)/t27-/m0/s1
InChIKeyGYMVVBGIADTROD-MHZLTWQESA-N
MW627.68 g/mol
LogP6.35
Rot. Bonds6

About 5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide

5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide (PubChem CID 167061686) has the molecular formula C32H27F2N7O3S and a molecular weight of 627.68 g/mol. Its IUPAC name is 5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide
PubChem CID167061686
Molecular FormulaC32H27F2N7O3S
Molecular Weight627.68 g/mol
Exact Mass627.19
IUPAC Name5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide
SMILESCc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2-c1nc(C2=CN=C(C(N)=O)CC2)cs1
InChIInChI=1S/C32H27F2N7O3S/c1-16-29(17(2)44-39-16)18-7-11-26-24(12-18)37-31(27-4-3-5-28(42)40(27)20-8-9-21(33)22(34)13-20)41(26)32-38-25(15-45-32)19-6-10-23(30(35)43)36-14-19/h7-9,11-15,27H,3-6,10H2,1-2H3,(H2,35,43)/t27-/m0/s1
InChIKeyGYMVVBGIADTROD-MHZLTWQESA-N
XLogP6.35
TPSA132.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.68
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide?
The IUPAC name of 5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide (CID 167061686) is 5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide?
The canonical SMILES for 5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide is Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2-c1nc(C2=CN=C(C(N)=O)CC2)cs1.
What is the InChIKey of 5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide?
The InChIKey is GYMVVBGIADTROD-MHZLTWQESA-N. The full InChI is InChI=1S/C32H27F2N7O3S/c1-16-29(17(2)44-39-16)18-7-11-26-24(12-18)37-31(27-4-3-5-28(42)40(27)20-8-9-21(33)22(34)13-20)41(26)32-38-25(15-45-32)19-6-10-23(30(35)43)36-14-19/h7-9,11-15,27H,3-6,10H2,1-2H3,(H2,35,43)/t27-/m0/s1.
What are the key properties of 5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide?
5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide has a molecular weight of 627.68 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-1,3-thiazol-4-yl]-3,4-dihydropyridine-2-carboxamide is sourced from PubChem (CID 167061686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).