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

C18H11F6N3O — CID 134457984

IUPAC5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(C(F)(F)F)ccc3cc(C(F)(F)F)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C18H11F6N3O/c1-8-4-10(5-9-6-14(28)25-15(8)9)16-12(17(19,20)21)3-2-11-7-13(18(22,23)24)26-27(11)16/h2-5,7H,6H2,1H3,(H,25,28)
InChIKeyOSRLKIQKJDEQQU-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.84
Rot. Bonds1

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

5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 134457984) has the molecular formula C18H11F6N3O and a molecular weight of 399.29 g/mol. Its IUPAC name is 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID134457984
Molecular FormulaC18H11F6N3O
Molecular Weight399.29 g/mol
Exact Mass399.08
IUPAC Name5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(C(F)(F)F)ccc3cc(C(F)(F)F)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C18H11F6N3O/c1-8-4-10(5-9-6-14(28)25-15(8)9)16-12(17(19,20)21)3-2-11-7-13(18(22,23)24)26-27(11)16/h2-5,7H,6H2,1H3,(H,25,28)
InChIKeyOSRLKIQKJDEQQU-UHFFFAOYSA-N
XLogP4.84
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.84
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-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one (CID 134457984) is 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-c2c(C(F)(F)F)ccc3cc(C(F)(F)F)nn23)cc2c1NC(=O)C2.
What is the InChIKey of 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is OSRLKIQKJDEQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O/c1-8-4-10(5-9-6-14(28)25-15(8)9)16-12(17(19,20)21)3-2-11-7-13(18(22,23)24)26-27(11)16/h2-5,7H,6H2,1H3,(H,25,28).
What are the key properties of 5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[2,6-bis(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 399.29 g/mol, XLogP of 4.84, 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-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).