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

C21H20F6N6O4S — CID 130300668

IUPACN-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESCCS(=O)(=O)c1cc2c(nc1C(=O)N(C)c1c(N)cc(C(F)(F)F)n(C3CC3)c1=O)nc(C(F)(F)F)n2C
InChIInChI=1S/C21H20F6N6O4S/c1-4-38(36,37)12-8-11-16(30-19(31(11)2)21(25,26)27)29-14(12)17(34)32(3)15-10(28)7-13(20(22,23)24)33(18(15)35)9-5-6-9/h7-9H,4-6,28H2,1-3H3
InChIKeyYXQBLECESDLNMX-UHFFFAOYSA-N
MW566.48 g/mol
LogP3.15
Rot. Bonds5

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

N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 130300668) has the molecular formula C21H20F6N6O4S and a molecular weight of 566.48 g/mol. Its IUPAC name is N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID130300668
Molecular FormulaC21H20F6N6O4S
Molecular Weight566.48 g/mol
Exact Mass566.12
IUPAC NameN-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESCCS(=O)(=O)c1cc2c(nc1C(=O)N(C)c1c(N)cc(C(F)(F)F)n(C3CC3)c1=O)nc(C(F)(F)F)n2C
InChIInChI=1S/C21H20F6N6O4S/c1-4-38(36,37)12-8-11-16(30-19(31(11)2)21(25,26)27)29-14(12)17(34)32(3)15-10(28)7-13(20(22,23)24)33(18(15)35)9-5-6-9/h7-9H,4-6,28H2,1-3H3
InChIKeyYXQBLECESDLNMX-UHFFFAOYSA-N
XLogP3.15
TPSA133.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-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-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide (CID 130300668) is N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide is CCS(=O)(=O)c1cc2c(nc1C(=O)N(C)c1c(N)cc(C(F)(F)F)n(C3CC3)c1=O)nc(C(F)(F)F)n2C.
What is the InChIKey of N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is YXQBLECESDLNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N6O4S/c1-4-38(36,37)12-8-11-16(30-19(31(11)2)21(25,26)27)29-14(12)17(34)32(3)15-10(28)7-13(20(22,23)24)33(18(15)35)9-5-6-9/h7-9H,4-6,28H2,1-3H3.
What are the key properties of N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide?
N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 566.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-cyclopropyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-6-ethylsulfonyl-N,1-dimethyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 130300668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).