5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide

C17H17F3N6O3S — CID 24985567

IUPAC5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)nc2)nc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C17H17F3N6O3S/c1-3-26-13-6-14(17(18,19)20)23-8-12(13)24-16(26)9(2)25-30(28,29)10-4-5-11(15(21)27)22-7-10/h4-9,25H,3H2,1-2H3,(H2,21,27)/t9-/m1/s1
InChIKeyOWJLAOYANBKHPL-SECBINFHSA-N
MW442.42 g/mol
LogP2.00
Rot. Bonds6

About 5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide

5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide (PubChem CID 24985567) has the molecular formula C17H17F3N6O3S and a molecular weight of 442.42 g/mol. Its IUPAC name is 5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide
PubChem CID24985567
Molecular FormulaC17H17F3N6O3S
Molecular Weight442.42 g/mol
Exact Mass442.10
IUPAC Name5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)nc2)nc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C17H17F3N6O3S/c1-3-26-13-6-14(17(18,19)20)23-8-12(13)24-16(26)9(2)25-30(28,29)10-4-5-11(15(21)27)22-7-10/h4-9,25H,3H2,1-2H3,(H2,21,27)/t9-/m1/s1
InChIKeyOWJLAOYANBKHPL-SECBINFHSA-N
XLogP2.00
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide?
The IUPAC name of 5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide (CID 24985567) is 5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)nc2)nc2cnc(C(F)(F)F)cc21.
What is the InChIKey of 5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide?
The InChIKey is OWJLAOYANBKHPL-SECBINFHSA-N. The full InChI is InChI=1S/C17H17F3N6O3S/c1-3-26-13-6-14(17(18,19)20)23-8-12(13)24-16(26)9(2)25-30(28,29)10-4-5-11(15(21)27)22-7-10/h4-9,25H,3H2,1-2H3,(H2,21,27)/t9-/m1/s1.
What are the key properties of 5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide?
5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide has a molecular weight of 442.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]sulfamoyl]pyridine-2-carboxamide is sourced from PubChem (CID 24985567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).