5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one

C19H14F5N3O — CID 134452626

IUPAC5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(C(F)F)cc(C)c3cc(C(F)(F)F)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C19H14F5N3O/c1-8-4-12(18(20)21)17(27-13(8)7-14(26-27)19(22,23)24)11-3-9(2)16-10(5-11)6-15(28)25-16/h3-5,7,18H,6H2,1-2H3,(H,25,28)
InChIKeyVWPKANMJWYMBAW-UHFFFAOYSA-N
MW395.33 g/mol
LogP5.07
Rot. Bonds2

About 5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one

5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 134452626) has the molecular formula C19H14F5N3O and a molecular weight of 395.33 g/mol. Its IUPAC name is 5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID134452626
Molecular FormulaC19H14F5N3O
Molecular Weight395.33 g/mol
Exact Mass395.11
IUPAC Name5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(C(F)F)cc(C)c3cc(C(F)(F)F)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C19H14F5N3O/c1-8-4-12(18(20)21)17(27-13(8)7-14(26-27)19(22,23)24)11-3-9(2)16-10(5-11)6-15(28)25-16/h3-5,7,18H,6H2,1-2H3,(H,25,28)
InChIKeyVWPKANMJWYMBAW-UHFFFAOYSA-N
XLogP5.07
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.33
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one (CID 134452626) is 5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-c2c(C(F)F)cc(C)c3cc(C(F)(F)F)nn23)cc2c1NC(=O)C2.
What is the InChIKey of 5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is VWPKANMJWYMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O/c1-8-4-12(18(20)21)17(27-13(8)7-14(26-27)19(22,23)24)11-3-9(2)16-10(5-11)6-15(28)25-16/h3-5,7,18H,6H2,1-2H3,(H,25,28).
What are the key properties of 5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 395.33 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134452626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).