N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide

C16H16F6N4O4S — CID 170733458

IUPACN-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCOc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cnc2n1CCC(C(F)(F)F)C2
InChIInChI=1S/C16H16F6N4O4S/c1-29-15-10(5-9(17)14(24-15)30-7-11(18)19)25-31(27,28)13-6-23-12-4-8(16(20,21)22)2-3-26(12)13/h5-6,8,11,25H,2-4,7H2,1H3
InChIKeyOVXJWYBRNDOGJL-UHFFFAOYSA-N
MW474.38 g/mol
LogP3.00
Rot. Bonds7

About N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide

N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 170733458) has the molecular formula C16H16F6N4O4S and a molecular weight of 474.38 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID170733458
Molecular FormulaC16H16F6N4O4S
Molecular Weight474.38 g/mol
Exact Mass474.08
IUPAC NameN-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCOc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cnc2n1CCC(C(F)(F)F)C2
InChIInChI=1S/C16H16F6N4O4S/c1-29-15-10(5-9(17)14(24-15)30-7-11(18)19)25-31(27,28)13-6-23-12-4-8(16(20,21)22)2-3-26(12)13/h5-6,8,11,25H,2-4,7H2,1H3
InChIKeyOVXJWYBRNDOGJL-UHFFFAOYSA-N
XLogP3.00
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridine-3-sulfonamide
CID 170733404
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 170733443
8-cyano-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-methylimidazo[1,2-a]pyridine-3-sulfonamide
CID 170733496
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-ethyl-1-oxoisoquinoline-5-sulfonamide
CID 170733305
6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide
CID 170733613
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide
CID 146278092
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide
CID 170733296
7-cyclopropyl-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 170733407
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide
CID 170733625
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-methyl-1-oxo-4,5-dihydro-3H-2-benzazepine-6-sulfinamide
CID 170733358
6-[cyclopentyl(difluoro)methyl]-N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)pyridine-3-sulfonamide
CID 130246681
4-[[2-[3-ethoxy-2-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]phenyl]-1,3-thiazol-4-yl]sulfonylamino]-2-fluoro-5-methoxybenzoic acid
CID 167476122

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide (CID 170733458) is N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide is COc1nc(OCC(F)F)c(F)cc1NS(=O)(=O)c1cnc2n1CCC(C(F)(F)F)C2.
What is the InChIKey of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is OVXJWYBRNDOGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N4O4S/c1-29-15-10(5-9(17)14(24-15)30-7-11(18)19)25-31(27,28)13-6-23-12-4-8(16(20,21)22)2-3-26(12)13/h5-6,8,11,25H,2-4,7H2,1H3.
What are the key properties of N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide?
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 474.38 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 170733458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).