6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C17H17ClF5N7 — CID 72703086

IUPAC6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCC(F)(F)C4)nn3C)nn12
InChIInChI=1S/C17H17ClF5N7/c1-9-11(18)7-10(17(21,22)23)14-24-12(26-30(9)14)3-4-13-25-15(27-28(13)2)29-6-5-16(19,20)8-29/h7H,3-6,8H2,1-2H3
InChIKeyUNVGETXXYQFUKG-UHFFFAOYSA-N
MW449.82 g/mol
LogP3.47
Rot. Bonds4

About 6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 72703086) has the molecular formula C17H17ClF5N7 and a molecular weight of 449.82 g/mol. Its IUPAC name is 6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID72703086
Molecular FormulaC17H17ClF5N7
Molecular Weight449.82 g/mol
Exact Mass449.12
IUPAC Name6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCC(F)(F)C4)nn3C)nn12
InChIInChI=1S/C17H17ClF5N7/c1-9-11(18)7-10(17(21,22)23)14-24-12(26-30(9)14)3-4-13-25-15(27-28(13)2)29-6-5-16(19,20)8-29/h7H,3-6,8H2,1-2H3
InChIKeyUNVGETXXYQFUKG-UHFFFAOYSA-N
XLogP3.47
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.82
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 72703086) is 6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCC(F)(F)C4)nn3C)nn12.
What is the InChIKey of 6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is UNVGETXXYQFUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF5N7/c1-9-11(18)7-10(17(21,22)23)14-24-12(26-30(9)14)3-4-13-25-15(27-28(13)2)29-6-5-16(19,20)8-29/h7H,3-6,8H2,1-2H3.
What are the key properties of 6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 449.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-[5-(3,3-difluoropyrrolidin-1-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 72703086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).