N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide

C21H20F6N6O4S — CID 130300662

IUPACN-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESCCS(=O)(=O)c1cc2c(nc1C(=O)Nc1cc(C(F)(F)F)n(C3CC3)c(=O)c1NC)nc(C(F)(F)F)n2C
InChIInChI=1S/C21H20F6N6O4S/c1-4-38(36,37)12-8-11-16(31-19(32(11)3)21(25,26)27)30-15(12)17(34)29-10-7-13(20(22,23)24)33(9-5-6-9)18(35)14(10)28-2/h7-9,28H,4-6H2,1-3H3,(H,29,34)
InChIKeyGJEWPRZTNIQCBY-UHFFFAOYSA-N
MW566.48 g/mol
LogP3.59
Rot. Bonds6

About N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide

N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 130300662) has the molecular formula C21H20F6N6O4S and a molecular weight of 566.48 g/mol. Its IUPAC name is N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID130300662
Molecular FormulaC21H20F6N6O4S
Molecular Weight566.48 g/mol
Exact Mass566.12
IUPAC NameN-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESCCS(=O)(=O)c1cc2c(nc1C(=O)Nc1cc(C(F)(F)F)n(C3CC3)c(=O)c1NC)nc(C(F)(F)F)n2C
InChIInChI=1S/C21H20F6N6O4S/c1-4-38(36,37)12-8-11-16(31-19(32(11)3)21(25,26)27)30-15(12)17(34)29-10-7-13(20(22,23)24)33(9-5-6-9)18(35)14(10)28-2/h7-9,28H,4-6H2,1-3H3,(H,29,34)
InChIKeyGJEWPRZTNIQCBY-UHFFFAOYSA-N
XLogP3.59
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide (CID 130300662) is N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide is CCS(=O)(=O)c1cc2c(nc1C(=O)Nc1cc(C(F)(F)F)n(C3CC3)c(=O)c1NC)nc(C(F)(F)F)n2C.
What is the InChIKey of N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is GJEWPRZTNIQCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N6O4S/c1-4-38(36,37)12-8-11-16(31-19(32(11)3)21(25,26)27)30-15(12)17(34)29-10-7-13(20(22,23)24)33(9-5-6-9)18(35)14(10)28-2/h7-9,28H,4-6H2,1-3H3,(H,29,34).
What are the key properties of N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide?
N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 566.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 130300662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).