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

C18H11ClF5N3O — CID 134452628

IUPAC7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(C(F)F)c(-c2cc(Cl)c3c(c2)CC(=O)N3)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C18H11ClF5N3O/c1-7-2-10(17(20)21)16(27-12(7)6-13(26-27)18(22,23)24)9-3-8-5-14(28)25-15(8)11(19)4-9/h2-4,6,17H,5H2,1H3,(H,25,28)
InChIKeyDHDWJBZKHOPHLK-UHFFFAOYSA-N
MW415.75 g/mol
LogP5.41
Rot. Bonds2

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

7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one (PubChem CID 134452628) has the molecular formula C18H11ClF5N3O and a molecular weight of 415.75 g/mol. Its IUPAC name is 7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one
PubChem CID134452628
Molecular FormulaC18H11ClF5N3O
Molecular Weight415.75 g/mol
Exact Mass415.05
IUPAC Name7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(C(F)F)c(-c2cc(Cl)c3c(c2)CC(=O)N3)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C18H11ClF5N3O/c1-7-2-10(17(20)21)16(27-12(7)6-13(26-27)18(22,23)24)9-3-8-5-14(28)25-15(8)11(19)4-9/h2-4,6,17H,5H2,1H3,(H,25,28)
InChIKeyDHDWJBZKHOPHLK-UHFFFAOYSA-N
XLogP5.41
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.75
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one (CID 134452628) is 7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one is Cc1cc(C(F)F)c(-c2cc(Cl)c3c(c2)CC(=O)N3)n2nc(C(F)(F)F)cc12.
What is the InChIKey of 7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one?
The InChIKey is DHDWJBZKHOPHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF5N3O/c1-7-2-10(17(20)21)16(27-12(7)6-13(26-27)18(22,23)24)9-3-8-5-14(28)25-15(8)11(19)4-9/h2-4,6,17H,5H2,1H3,(H,25,28).
What are the key properties of 7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one?
7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one has a molecular weight of 415.75 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134452628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).