6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide

C19H20F3N5O6S2 — CID 135333801

IUPAC6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide
SMILESCCn1c(C(F)(F)F)cc2nc(-c3ncc(C(=O)NS(C)(=O)=O)cc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C19H20F3N5O6S2/c1-5-27-13(19(20,21)22)8-11-15(18(27)29)26(3)16(24-11)14-12(35(32,33)6-2)7-10(9-23-14)17(28)25-34(4,30)31/h7-9H,5-6H2,1-4H3,(H,25,28)
InChIKeyNWZWWWOOWBHTCD-UHFFFAOYSA-N
MW535.53 g/mol
LogP1.32
Rot. Bonds6

About 6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide

6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide (PubChem CID 135333801) has the molecular formula C19H20F3N5O6S2 and a molecular weight of 535.53 g/mol. Its IUPAC name is 6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide
PubChem CID135333801
Molecular FormulaC19H20F3N5O6S2
Molecular Weight535.53 g/mol
Exact Mass535.08
IUPAC Name6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide
SMILESCCn1c(C(F)(F)F)cc2nc(-c3ncc(C(=O)NS(C)(=O)=O)cc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C19H20F3N5O6S2/c1-5-27-13(19(20,21)22)8-11-15(18(27)29)26(3)16(24-11)14-12(35(32,33)6-2)7-10(9-23-14)17(28)25-34(4,30)31/h7-9H,5-6H2,1-4H3,(H,25,28)
InChIKeyNWZWWWOOWBHTCD-UHFFFAOYSA-N
XLogP1.32
TPSA150.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.53
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71765014
N-(4-(Phenylsulfonyl)butyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 76311094
N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71726494
N-[[5-[5-(trifluoromethyl)pyridin-3-yl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71726744
N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71728053
N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71728057
N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71728280
N-[[5-[(6-methyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 89793561
US10696692, Example 210
CID 89795500
N-[[5-(3-methylsulfonylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012064
N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118160929
N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118160934

Frequently Asked Questions

What is the IUPAC name of 6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of 6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide (CID 135333801) is 6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide is CCn1c(C(F)(F)F)cc2nc(-c3ncc(C(=O)NS(C)(=O)=O)cc3S(=O)(=O)CC)n(C)c2c1=O.
What is the InChIKey of 6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide?
The InChIKey is NWZWWWOOWBHTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O6S2/c1-5-27-13(19(20,21)22)8-11-15(18(27)29)26(3)16(24-11)14-12(35(32,33)6-2)7-10(9-23-14)17(28)25-34(4,30)31/h7-9H,5-6H2,1-4H3,(H,25,28).
What are the key properties of 6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide?
6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide has a molecular weight of 535.53 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 135333801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).