1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C33H27F12N7O5S2 — CID 159170725

IUPAC1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)Cc1cc(C(F)(F)F)ncc1NC
InChIInChI=1S/C17H15F6N3O3S.C16H12F6N4O2S/c1-3-30(28,29)13-6-10(16(18,19)20)7-26-15(13)12(27)4-9-5-14(17(21,22)23)25-8-11(9)24-2;1-3-29(27,28)11-4-8(15(17,18)19)6-24-13(11)14-25-9-5-12(16(20,21)22)23-7-10(9)26(14)2/h5-8,24H,3-4H2,1-2H3;4-7H,3H2,1-2H3
InChIKeyKLQPFWBQEMQEGP-UHFFFAOYSA-N
MW893.73 g/mol
LogP7.64
Rot. Bonds9

About 1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 159170725) has the molecular formula C33H27F12N7O5S2 and a molecular weight of 893.73 g/mol. Its IUPAC name is 1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID159170725
Molecular FormulaC33H27F12N7O5S2
Molecular Weight893.73 g/mol
Exact Mass893.13
IUPAC Name1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)Cc1cc(C(F)(F)F)ncc1NC
InChIInChI=1S/C17H15F6N3O3S.C16H12F6N4O2S/c1-3-30(28,29)13-6-10(16(18,19)20)7-26-15(13)12(27)4-9-5-14(17(21,22)23)25-8-11(9)24-2;1-3-29(27,28)11-4-8(15(17,18)19)6-24-13(11)14-25-9-5-12(16(20,21)22)23-7-10(9)26(14)2/h5-8,24H,3-4H2,1-2H3;4-7H,3H2,1-2H3
InChIKeyKLQPFWBQEMQEGP-UHFFFAOYSA-N
XLogP7.64
TPSA166.76 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500893.73
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine with MolForge

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Related Compounds

(S)-N-(4-(ethylsulfonyl)benzyl)-7-isopropyl-6-(4-(trifluoromethyl)pyrimidin-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide
CID 146681918
3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide
CID 52932881
1-(2-methylsulfonylethyl)-N-[(1R)-1-[5-[4-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 68056903
3-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide
CID 75964675
1-(2-methylsulfonylethyl)-N-[1-[5-[4-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 77450049
N-tert-butyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
CID 78324486
1-[5-Ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-yl]ethanone
CID 78324488
[5-Ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-yl]-piperidin-1-ylmethanone
CID 78324798
4-[8-amino-3-(4-methyl-1,1-dioxo-1,4-thiazinan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90311350
[5-Ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 90338212
(3-Ethylsulfonyl-5-pyrimidin-2-ylpyridin-2-yl)-[6-(trifluoromethyl)-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl]methanone
CID 122454073
(3-Ethylsulfonyl-5-pyrimidin-2-yl-2-pyridinyl)-[4-oxido-6-(trifluoromethyl)-2,3-dihydropyrrolo[3,2-b]pyridin-4-ium-1-yl]methanone
CID 122454087

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 159170725) is 1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.CCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)Cc1cc(C(F)(F)F)ncc1NC.
What is the InChIKey of 1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is KLQPFWBQEMQEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6N3O3S.C16H12F6N4O2S/c1-3-30(28,29)13-6-10(16(18,19)20)7-26-15(13)12(27)4-9-5-14(17(21,22)23)25-8-11(9)24-2;1-3-29(27,28)11-4-8(15(17,18)19)6-24-13(11)14-25-9-5-12(16(20,21)22)23-7-10(9)26(14)2/h5-8,24H,3-4H2,1-2H3;4-7H,3H2,1-2H3.
What are the key properties of 1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 893.73 g/mol, XLogP of 7.64, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 159170725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).