N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide

C19H22F2N4O6S2 — CID 178185147

IUPACN-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide
SMILESCOc1cc2ncc(-c3cnc(OC(F)F)c(NS(C)(=O)=O)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C19H22F2N4O6S2/c1-19(2,3)33(28,29)15-10-25-13(9-22-16(25)7-14(15)30-4)11-6-12(24-32(5,26)27)17(23-8-11)31-18(20)21/h6-10,18,24H,1-5H3
InChIKeyFDQOGCYRFFUAGQ-UHFFFAOYSA-N
MW504.54 g/mol
LogP2.95
Rot. Bonds7

About N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide

N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide (PubChem CID 178185147) has the molecular formula C19H22F2N4O6S2 and a molecular weight of 504.54 g/mol. Its IUPAC name is N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide
PubChem CID178185147
Molecular FormulaC19H22F2N4O6S2
Molecular Weight504.54 g/mol
Exact Mass504.09
IUPAC NameN-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide
SMILESCOc1cc2ncc(-c3cnc(OC(F)F)c(NS(C)(=O)=O)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C19H22F2N4O6S2/c1-19(2,3)33(28,29)15-10-25-13(9-22-16(25)7-14(15)30-4)11-6-12(24-32(5,26)27)17(23-8-11)31-18(20)21/h6-10,18,24H,1-5H3
InChIKeyFDQOGCYRFFUAGQ-UHFFFAOYSA-N
XLogP2.95
TPSA128.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide (CID 178185147) is N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide is COc1cc2ncc(-c3cnc(OC(F)F)c(NS(C)(=O)=O)c3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide?
The InChIKey is FDQOGCYRFFUAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O6S2/c1-19(2,3)33(28,29)15-10-25-13(9-22-16(25)7-14(15)30-4)11-6-12(24-32(5,26)27)17(23-8-11)31-18(20)21/h6-10,18,24H,1-5H3.
What are the key properties of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide?
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide has a molecular weight of 504.54 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-(difluoromethoxy)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 178185147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).