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

C19H13ClF3N3O — CID 134457792

IUPAC7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(C(F)(F)F)ccc4cc(C5CC5)nn34)cc(Cl)c2N1
InChIInChI=1S/C19H13ClF3N3O/c20-14-6-11(5-10-7-16(27)24-17(10)14)18-13(19(21,22)23)4-3-12-8-15(9-1-2-9)25-26(12)18/h3-6,8-9H,1-2,7H2,(H,24,27)
InChIKeySQPORFMPQGZUQH-UHFFFAOYSA-N
MW391.78 g/mol
LogP5.05
Rot. Bonds2

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

7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one (PubChem CID 134457792) has the molecular formula C19H13ClF3N3O and a molecular weight of 391.78 g/mol. Its IUPAC name is 7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one
PubChem CID134457792
Molecular FormulaC19H13ClF3N3O
Molecular Weight391.78 g/mol
Exact Mass391.07
IUPAC Name7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(C(F)(F)F)ccc4cc(C5CC5)nn34)cc(Cl)c2N1
InChIInChI=1S/C19H13ClF3N3O/c20-14-6-11(5-10-7-16(27)24-17(10)14)18-13(19(21,22)23)4-3-12-8-15(9-1-2-9)25-26(12)18/h3-6,8-9H,1-2,7H2,(H,24,27)
InChIKeySQPORFMPQGZUQH-UHFFFAOYSA-N
XLogP5.05
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one (CID 134457792) is 7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(C(F)(F)F)ccc4cc(C5CC5)nn34)cc(Cl)c2N1.
What is the InChIKey of 7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one?
The InChIKey is SQPORFMPQGZUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O/c20-14-6-11(5-10-7-16(27)24-17(10)14)18-13(19(21,22)23)4-3-12-8-15(9-1-2-9)25-26(12)18/h3-6,8-9H,1-2,7H2,(H,24,27).
What are the key properties of 7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one?
7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one has a molecular weight of 391.78 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).