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

C20H16F3N3O — CID 134457786

IUPAC5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(C(F)(F)F)ccc3cc(C4CC4)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C20H16F3N3O/c1-10-6-13(7-12-8-17(27)24-18(10)12)19-15(20(21,22)23)5-4-14-9-16(11-2-3-11)25-26(14)19/h4-7,9,11H,2-3,8H2,1H3,(H,24,27)
InChIKeyVCKRMUILLPQZCR-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.70
Rot. Bonds2

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

5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 134457786) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID134457786
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(C(F)(F)F)ccc3cc(C4CC4)nn23)cc2c1NC(=O)C2
InChIInChI=1S/C20H16F3N3O/c1-10-6-13(7-12-8-17(27)24-18(10)12)19-15(20(21,22)23)5-4-14-9-16(11-2-3-11)25-26(14)19/h4-7,9,11H,2-3,8H2,1H3,(H,24,27)
InChIKeyVCKRMUILLPQZCR-UHFFFAOYSA-N
XLogP4.70
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one (CID 134457786) is 5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-c2c(C(F)(F)F)ccc3cc(C4CC4)nn23)cc2c1NC(=O)C2.
What is the InChIKey of 5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is VCKRMUILLPQZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-10-6-13(7-12-8-17(27)24-18(10)12)19-15(20(21,22)23)5-4-14-9-16(11-2-3-11)25-26(14)19/h4-7,9,11H,2-3,8H2,1H3,(H,24,27).
What are the key properties of 5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 371.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).