2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C18H17F5N4O3S — CID 135368089

IUPAC2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(OC(CF)CF)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C18H17F5N4O3S/c1-3-31(28,29)14-4-10(30-11(6-19)7-20)8-25-16(14)17-26-12-5-15(18(21,22)23)24-9-13(12)27(17)2/h4-5,8-9,11H,3,6-7H2,1-2H3
InChIKeyVYEDQMZBIHBHNS-UHFFFAOYSA-N
MW464.42 g/mol
LogP3.53
Rot. Bonds7

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

2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 135368089) has the molecular formula C18H17F5N4O3S and a molecular weight of 464.42 g/mol. Its IUPAC name is 2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID135368089
Molecular FormulaC18H17F5N4O3S
Molecular Weight464.42 g/mol
Exact Mass464.09
IUPAC Name2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(OC(CF)CF)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C18H17F5N4O3S/c1-3-31(28,29)14-4-10(30-11(6-19)7-20)8-25-16(14)17-26-12-5-15(18(21,22)23)24-9-13(12)27(17)2/h4-5,8-9,11H,3,6-7H2,1-2H3
InChIKeyVYEDQMZBIHBHNS-UHFFFAOYSA-N
XLogP3.53
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

US10059713, Example 162
CID 129187085
5,6-difluoro-1-methyl-N-[(E)-1-[5-(3-methylsulfonylpropoxy)-2-pyridinyl]ethylideneamino]benzimidazol-2-amine
CID 177654860
US20250346593, Example 313
CID 170434993
US20240254114, Example 72
CID 171655175
US20240254114, Example 89
CID 171655219
US20240254114, Example 68
CID 171655322
US20240254114, Example 77
CID 171655439
US20240254114, Example 71
CID 171655453
US20240254114, Example 59
CID 171655519
US20240254114, Example 81
CID 171655567
US20250346593, Example 334
CID 176301623
US20250346593, Example 74
CID 177773329

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 135368089) is 2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(OC(CF)CF)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is VYEDQMZBIHBHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N4O3S/c1-3-31(28,29)14-4-10(30-11(6-19)7-20)8-25-16(14)17-26-12-5-15(18(21,22)23)24-9-13(12)27(17)2/h4-5,8-9,11H,3,6-7H2,1-2H3.
What are the key properties of 2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 464.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-difluoropropan-2-yloxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 135368089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).