5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one

C17H8ClF6N3O — CID 134457782

IUPAC5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(C(F)(F)F)ccc4cc(C(F)(F)F)nn34)cc(Cl)c2N1
InChIInChI=1S/C17H8ClF6N3O/c18-11-4-8(3-7-5-13(28)25-14(7)11)15-10(16(19,20)21)2-1-9-6-12(17(22,23)24)26-27(9)15/h1-4,6H,5H2,(H,25,28)
InChIKeyFRIMHQHGVUTXLQ-UHFFFAOYSA-N
MW419.71 g/mol
LogP5.19
Rot. Bonds1

About 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one

5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one (PubChem CID 134457782) has the molecular formula C17H8ClF6N3O and a molecular weight of 419.71 g/mol. Its IUPAC name is 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one
PubChem CID134457782
Molecular FormulaC17H8ClF6N3O
Molecular Weight419.71 g/mol
Exact Mass419.03
IUPAC Name5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(C(F)(F)F)ccc4cc(C(F)(F)F)nn34)cc(Cl)c2N1
InChIInChI=1S/C17H8ClF6N3O/c18-11-4-8(3-7-5-13(28)25-14(7)11)15-10(16(19,20)21)2-1-9-6-12(17(22,23)24)26-27(9)15/h1-4,6H,5H2,(H,25,28)
InChIKeyFRIMHQHGVUTXLQ-UHFFFAOYSA-N
XLogP5.19
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.71
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one (CID 134457782) is 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(C(F)(F)F)ccc4cc(C(F)(F)F)nn34)cc(Cl)c2N1.
What is the InChIKey of 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one?
The InChIKey is FRIMHQHGVUTXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8ClF6N3O/c18-11-4-8(3-7-5-13(28)25-14(7)11)15-10(16(19,20)21)2-1-9-6-12(17(22,23)24)26-27(9)15/h1-4,6H,5H2,(H,25,28).
What are the key properties of 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one?
5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one has a molecular weight of 419.71 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).