N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide

C23H22F3N7O4S — CID 156840567

IUPACN-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2cccc(F)c2)CC1
InChIInChI=1S/C23H22F3N7O4S/c1-38(35,36)32-9-7-30(8-10-32)23(34)33(18-4-2-3-16(24)12-18)14-17-13-31-6-5-15(11-19(31)27-17)21-28-29-22(37-21)20(25)26/h2-6,11-13,20H,7-10,14H2,1H3
InChIKeyZIBGBGJSTCHZAW-UHFFFAOYSA-N
MW549.54 g/mol
LogP3.16
Rot. Bonds6

About N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide (PubChem CID 156840567) has the molecular formula C23H22F3N7O4S and a molecular weight of 549.54 g/mol. Its IUPAC name is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide
PubChem CID156840567
Molecular FormulaC23H22F3N7O4S
Molecular Weight549.54 g/mol
Exact Mass549.14
IUPAC NameN-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2cccc(F)c2)CC1
InChIInChI=1S/C23H22F3N7O4S/c1-38(35,36)32-9-7-30(8-10-32)23(34)33(18-4-2-3-16(24)12-18)14-17-13-31-6-5-15(11-19(31)27-17)21-28-29-22(37-21)20(25)26/h2-6,11-13,20H,7-10,14H2,1H3
InChIKeyZIBGBGJSTCHZAW-UHFFFAOYSA-N
XLogP3.16
TPSA117.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 156840540
N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-(oxan-4-yl)piperazine-1-carboxamide
CID 156840617
N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-sulfonamide
CID 156840481
tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]piperazine-1-carboxylate
CID 156840609
N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 156840659
tert-butyl 4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-(3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 156840573
N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide
CID 156840498
1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide
CID 156840490
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 140894985
N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenylpiperazine-1-sulfonamide
CID 156840469
2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid
CID 168860041
methyl 3-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylcarbamoyl]azetidine-1-carboxylate
CID 156840620

Frequently Asked Questions

What is the IUPAC name of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide (CID 156840567) is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide is CS(=O)(=O)N1CCN(C(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2cccc(F)c2)CC1.
What is the InChIKey of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide?
The InChIKey is ZIBGBGJSTCHZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O4S/c1-38(35,36)32-9-7-30(8-10-32)23(34)33(18-4-2-3-16(24)12-18)14-17-13-31-6-5-15(11-19(31)27-17)21-28-29-22(37-21)20(25)26/h2-6,11-13,20H,7-10,14H2,1H3.
What are the key properties of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide?
N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide has a molecular weight of 549.54 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 156840567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).