7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one

C16H8ClF5N4O — CID 134450123

IUPAC7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(C(F)F)ccn4nc(C(F)(F)F)nc34)cc(Cl)c2N1
InChIInChI=1S/C16H8ClF5N4O/c17-9-4-6(3-7-5-10(27)23-12(7)9)11-8(13(18)19)1-2-26-14(11)24-15(25-26)16(20,21)22/h1-4,13H,5H2,(H,23,27)
InChIKeyXVKHARRKJAULOT-UHFFFAOYSA-N
MW402.71 g/mol
LogP4.50
Rot. Bonds2

About 7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one

7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one (PubChem CID 134450123) has the molecular formula C16H8ClF5N4O and a molecular weight of 402.71 g/mol. Its IUPAC name is 7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one
PubChem CID134450123
Molecular FormulaC16H8ClF5N4O
Molecular Weight402.71 g/mol
Exact Mass402.03
IUPAC Name7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(C(F)F)ccn4nc(C(F)(F)F)nc34)cc(Cl)c2N1
InChIInChI=1S/C16H8ClF5N4O/c17-9-4-6(3-7-5-10(27)23-12(7)9)11-8(13(18)19)1-2-26-14(11)24-15(25-26)16(20,21)22/h1-4,13H,5H2,(H,23,27)
InChIKeyXVKHARRKJAULOT-UHFFFAOYSA-N
XLogP4.50
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.71
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one (CID 134450123) is 7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(C(F)F)ccn4nc(C(F)(F)F)nc34)cc(Cl)c2N1.
What is the InChIKey of 7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one?
The InChIKey is XVKHARRKJAULOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF5N4O/c17-9-4-6(3-7-5-10(27)23-12(7)9)11-8(13(18)19)1-2-26-14(11)24-15(25-26)16(20,21)22/h1-4,13H,5H2,(H,23,27).
What are the key properties of 7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one?
7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one has a molecular weight of 402.71 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134450123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).