7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one

C20H19F3N4O — CID 134457969

IUPAC7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESCCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(C)c4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C20H19F3N4O/c1-4-5-15-24-19-11(3)7-14(20(21,22)23)18(27(19)26-15)13-6-10(2)17-12(8-13)9-16(28)25-17/h6-8H,4-5,9H2,1-3H3,(H,25,28)
InChIKeyCGALVNHVFCJOGK-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.48
Rot. Bonds3

About 7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one

7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 134457969) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
PubChem CID134457969
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESCCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(C)c4c(c3)CC(=O)N4)n2n1
InChIInChI=1S/C20H19F3N4O/c1-4-5-15-24-19-11(3)7-14(20(21,22)23)18(27(19)26-15)13-6-10(2)17-12(8-13)9-16(28)25-17/h6-8H,4-5,9H2,1-3H3,(H,25,28)
InChIKeyCGALVNHVFCJOGK-UHFFFAOYSA-N
XLogP4.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

3-{1-Tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-B]pyridin-5-YL}-N-(4-fluorophenyl)propanamide
CID 16012611
N-[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42600633
3-{1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53466725
3-{1-[(3-fluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53466952
1-[5-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 53467390
US11312712, Example 421
CID 122654369
US11312712, Example 367
CID 122654504
US11312712, Example 336
CID 122654514
US11312712, Example 334
CID 122654546
US11312712, Example 331
CID 122654800
US10155769, Example 11
CID 134450110
US10155769, Example 26
CID 134450124

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one (CID 134457969) is 7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one is CCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(C)c4c(c3)CC(=O)N4)n2n1.
What is the InChIKey of 7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is CGALVNHVFCJOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-4-5-15-24-19-11(3)7-14(20(21,22)23)18(27(19)26-15)13-6-10(2)17-12(8-13)9-16(28)25-17/h6-8H,4-5,9H2,1-3H3,(H,25,28).
What are the key properties of 7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 388.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[8-methyl-2-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).