7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine

C21H14F6N8O2S — CID 130438515

IUPAC7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
SMILESCCS(=O)(=O)c1cc(-c2cnc3nc(C(F)(F)F)cnn23)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C21H14F6N8O2S/c1-3-38(36,37)14-4-10(12-7-30-19-33-16(21(25,26)27)9-31-35(12)19)6-29-17(14)18-32-11-5-15(20(22,23)24)28-8-13(11)34(18)2/h4-9H,3H2,1-2H3
InChIKeyYULWCPYCDFJNNQ-UHFFFAOYSA-N
MW556.45 g/mol
LogP3.97
Rot. Bonds4

About 7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine

7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine (PubChem CID 130438515) has the molecular formula C21H14F6N8O2S and a molecular weight of 556.45 g/mol. Its IUPAC name is 7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
PubChem CID130438515
Molecular FormulaC21H14F6N8O2S
Molecular Weight556.45 g/mol
Exact Mass556.09
IUPAC Name7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
SMILESCCS(=O)(=O)c1cc(-c2cnc3nc(C(F)(F)F)cnn23)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C21H14F6N8O2S/c1-3-38(36,37)14-4-10(12-7-30-19-33-16(21(25,26)27)9-31-35(12)19)6-29-17(14)18-32-11-5-15(20(22,23)24)28-8-13(11)34(18)2/h4-9H,3H2,1-2H3
InChIKeyYULWCPYCDFJNNQ-UHFFFAOYSA-N
XLogP3.97
TPSA120.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine (CID 130438515) is 7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine is CCS(=O)(=O)c1cc(-c2cnc3nc(C(F)(F)F)cnn23)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine?
The InChIKey is YULWCPYCDFJNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N8O2S/c1-3-38(36,37)14-4-10(12-7-30-19-33-16(21(25,26)27)9-31-35(12)19)6-29-17(14)18-32-11-5-15(20(22,23)24)28-8-13(11)34(18)2/h4-9H,3H2,1-2H3.
What are the key properties of 7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine?
7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine has a molecular weight of 556.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 130438515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).