2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C19H15F3N4O3S — CID 130438549

IUPAC2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2ccoc2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H15F3N4O3S/c1-3-30(27,28)15-6-12(11-4-5-29-10-11)8-24-17(15)18-25-13-7-16(19(20,21)22)23-9-14(13)26(18)2/h4-10H,3H2,1-2H3
InChIKeyHPMOZSFIAPXDNP-UHFFFAOYSA-N
MW436.42 g/mol
LogP4.10
Rot. Bonds4

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

2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 130438549) has the molecular formula C19H15F3N4O3S and a molecular weight of 436.42 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID130438549
Molecular FormulaC19H15F3N4O3S
Molecular Weight436.42 g/mol
Exact Mass436.08
IUPAC Name2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2ccoc2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H15F3N4O3S/c1-3-30(27,28)15-6-12(11-4-5-29-10-11)8-24-17(15)18-25-13-7-16(19(20,21)22)23-9-14(13)26(18)2/h4-10H,3H2,1-2H3
InChIKeyHPMOZSFIAPXDNP-UHFFFAOYSA-N
XLogP4.10
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 130438549) is 2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(-c2ccoc2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is HPMOZSFIAPXDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S/c1-3-30(27,28)15-6-12(11-4-5-29-10-11)8-24-17(15)18-25-13-7-16(19(20,21)22)23-9-14(13)26(18)2/h4-10H,3H2,1-2H3.
What are the key properties of 2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 436.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-5-(furan-3-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 130438549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).