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

C21H21F2N7O3S — CID 156840469

IUPACN-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenylpiperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(Cc1cn2ccc(-c3nnc(C(F)F)o3)cc2n1)c1ccccc1
InChIInChI=1S/C21H21F2N7O3S/c22-19(23)21-27-26-20(33-21)15-6-9-28-13-16(25-18(28)12-15)14-30(17-4-2-1-3-5-17)34(31,32)29-10-7-24-8-11-29/h1-6,9,12-13,19,24H,7-8,10-11,14H2
InChIKeyLMZDIJMTTGXDHR-UHFFFAOYSA-N
MW489.51 g/mol
LogP2.48
Rot. Bonds7

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

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenylpiperazine-1-sulfonamide (PubChem CID 156840469) has the molecular formula C21H21F2N7O3S and a molecular weight of 489.51 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-phenylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenylpiperazine-1-sulfonamide
PubChem CID156840469
Molecular FormulaC21H21F2N7O3S
Molecular Weight489.51 g/mol
Exact Mass489.14
IUPAC NameN-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenylpiperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(Cc1cn2ccc(-c3nnc(C(F)F)o3)cc2n1)c1ccccc1
InChIInChI=1S/C21H21F2N7O3S/c22-19(23)21-27-26-20(33-21)15-6-9-28-13-16(25-18(28)12-15)14-30(17-4-2-1-3-5-17)34(31,32)29-10-7-24-8-11-29/h1-6,9,12-13,19,24H,7-8,10-11,14H2
InChIKeyLMZDIJMTTGXDHR-UHFFFAOYSA-N
XLogP2.48
TPSA108.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-phenyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide
CID 156840451
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
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
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
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]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide
CID 156840567
N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-1-(oxetan-3-yl)-N-phenylpiperidine-4-carboxamide
CID 156840655
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-(2-methylpropanoyl)-N-phenylpiperazine-1-sulfonamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfonamide;hydrochloride
CID 158241311
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
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methylsulfonyl-N-phenylpiperazine-1-sulfonamide
CID 126508294
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide
CID 126508872

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-phenylpiperazine-1-sulfonamide?
The IUPAC name of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenylpiperazine-1-sulfonamide (CID 156840469) is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenylpiperazine-1-sulfonamide.
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-phenylpiperazine-1-sulfonamide?
The canonical SMILES for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenylpiperazine-1-sulfonamide is O=S(=O)(N1CCNCC1)N(Cc1cn2ccc(-c3nnc(C(F)F)o3)cc2n1)c1ccccc1.
What is the InChIKey of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenylpiperazine-1-sulfonamide?
The InChIKey is LMZDIJMTTGXDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O3S/c22-19(23)21-27-26-20(33-21)15-6-9-28-13-16(25-18(28)12-15)14-30(17-4-2-1-3-5-17)34(31,32)29-10-7-24-8-11-29/h1-6,9,12-13,19,24H,7-8,10-11,14H2.
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-phenylpiperazine-1-sulfonamide?
N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-phenylpiperazine-1-sulfonamide has a molecular weight of 489.51 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 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-phenylpiperazine-1-sulfonamide is sourced from PubChem (CID 156840469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).