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

C16H7ClF6N4O — CID 134452886

IUPAC5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(C(F)(F)F)ccn4nc(C(F)(F)F)nc34)cc(Cl)c2N1
InChIInChI=1S/C16H7ClF6N4O/c17-9-4-6(3-7-5-10(28)24-12(7)9)11-8(15(18,19)20)1-2-27-13(11)25-14(26-27)16(21,22)23/h1-4H,5H2,(H,24,28)
InChIKeyWADNTVQMSDGRNQ-UHFFFAOYSA-N
MW420.70 g/mol
LogP4.58
Rot. Bonds1

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

5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one (PubChem CID 134452886) has the molecular formula C16H7ClF6N4O and a molecular weight of 420.70 g/mol. Its IUPAC name is 5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one
PubChem CID134452886
Molecular FormulaC16H7ClF6N4O
Molecular Weight420.70 g/mol
Exact Mass420.02
IUPAC Name5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(C(F)(F)F)ccn4nc(C(F)(F)F)nc34)cc(Cl)c2N1
InChIInChI=1S/C16H7ClF6N4O/c17-9-4-6(3-7-5-10(28)24-12(7)9)11-8(15(18,19)20)1-2-27-13(11)25-14(26-27)16(21,22)23/h1-4H,5H2,(H,24,28)
InChIKeyWADNTVQMSDGRNQ-UHFFFAOYSA-N
XLogP4.58
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.70
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one (CID 134452886) is 5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(C(F)(F)F)ccn4nc(C(F)(F)F)nc34)cc(Cl)c2N1.
What is the InChIKey of 5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one?
The InChIKey is WADNTVQMSDGRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClF6N4O/c17-9-4-6(3-7-5-10(28)24-12(7)9)11-8(15(18,19)20)1-2-27-13(11)25-14(26-27)16(21,22)23/h1-4H,5H2,(H,24,28).
What are the key properties of 5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one?
5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one has a molecular weight of 420.70 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 134452886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).