2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C23H19F3N6O2S — CID 130438522

IUPAC2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2ccc3nccn3c2C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C23H19F3N6O2S/c1-4-35(33,34)18-9-14(15-5-6-20-27-7-8-32(20)13(15)2)11-29-21(18)22-30-16-10-19(23(24,25)26)28-12-17(16)31(22)3/h5-12H,4H2,1-3H3
InChIKeyCUONLFBTDZIUID-UHFFFAOYSA-N
MW500.51 g/mol
LogP4.47
Rot. Bonds4

About 2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 130438522) has the molecular formula C23H19F3N6O2S and a molecular weight of 500.51 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID130438522
Molecular FormulaC23H19F3N6O2S
Molecular Weight500.51 g/mol
Exact Mass500.12
IUPAC Name2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2ccc3nccn3c2C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C23H19F3N6O2S/c1-4-35(33,34)18-9-14(15-5-6-20-27-7-8-32(20)13(15)2)11-29-21(18)22-30-16-10-19(23(24,25)26)28-12-17(16)31(22)3/h5-12H,4H2,1-3H3
InChIKeyCUONLFBTDZIUID-UHFFFAOYSA-N
XLogP4.47
TPSA95.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 130438522) is 2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(-c2ccc3nccn3c2C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is CUONLFBTDZIUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2S/c1-4-35(33,34)18-9-14(15-5-6-20-27-7-8-32(20)13(15)2)11-29-21(18)22-30-16-10-19(23(24,25)26)28-12-17(16)31(22)3/h5-12H,4H2,1-3H3.
What are the key properties of 2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 500.51 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-5-(5-methylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 130438522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).