5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one

C19H17F3N4O — CID 172858233

IUPAC5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one
SMILESCC(C)c1nc2ccc(C(F)(F)F)c(Cc3ccc4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C19H17F3N4O/c1-10(2)18-24-16-6-4-13(19(20,21)22)15(26(16)25-18)8-11-3-5-14-12(7-11)9-17(27)23-14/h3-7,10H,8-9H2,1-2H3,(H,23,27)
InChIKeyYZSHCZXLTFSZKC-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.96
Rot. Bonds3

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

5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one (PubChem CID 172858233) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one
PubChem CID172858233
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one
SMILESCC(C)c1nc2ccc(C(F)(F)F)c(Cc3ccc4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C19H17F3N4O/c1-10(2)18-24-16-6-4-13(19(20,21)22)15(26(16)25-18)8-11-3-5-14-12(7-11)9-17(27)23-14/h3-7,10H,8-9H2,1-2H3,(H,23,27)
InChIKeyYZSHCZXLTFSZKC-UHFFFAOYSA-N
XLogP3.96
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one (CID 172858233) is 5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one is CC(C)c1nc2ccc(C(F)(F)F)c(Cc3ccc4c(c3)CC(=O)N4)n2n1.
What is the InChIKey of 5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one?
The InChIKey is YZSHCZXLTFSZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-10(2)18-24-16-6-4-13(19(20,21)22)15(26(16)25-18)8-11-3-5-14-12(7-11)9-17(27)23-14/h3-7,10H,8-9H2,1-2H3,(H,23,27).
What are the key properties of 5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one?
5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one has a molecular weight of 374.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 172858233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).