5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one

C17H12F3N3O — CID 122654569

IUPAC5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
SMILESCc1cc2ccc(C(F)(F)F)nc2n1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H12F3N3O/c1-9-6-10-2-5-14(17(18,19)20)22-16(10)23(9)12-3-4-13-11(7-12)8-15(24)21-13/h2-7H,8H2,1H3,(H,21,24)
InChIKeyQMNLWDKRXZGTHA-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.85
Rot. Bonds1

About 5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one

5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 122654569) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
PubChem CID122654569
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
SMILESCc1cc2ccc(C(F)(F)F)nc2n1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H12F3N3O/c1-9-6-10-2-5-14(17(18,19)20)22-16(10)23(9)12-3-4-13-11(7-12)8-15(24)21-13/h2-7H,8H2,1H3,(H,21,24)
InChIKeyQMNLWDKRXZGTHA-UHFFFAOYSA-N
XLogP3.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one
CID 134472554
5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
CID 122654619
5-(2-cyclopropyl-5-methylimidazo[4,5-b]pyridin-3-yl)-1,3-dihydroindol-2-one
CID 122654406
5-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 23363883
2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625
2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506
N-[4-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylsulfanylphenyl]formamide
CID 166654586
5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
CID 80503823
1-[6-(trifluoromethyl)-3-pyridinyl]-1,3-diazinane-2,4,6-trione
CID 112598156
N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide
CID 9055811
5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 79660978
N-methoxy-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 60664960

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one (CID 122654569) is 5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one is Cc1cc2ccc(C(F)(F)F)nc2n1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is QMNLWDKRXZGTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c1-9-6-10-2-5-14(17(18,19)20)22-16(10)23(9)12-3-4-13-11(7-12)8-15(24)21-13/h2-7H,8H2,1H3,(H,21,24).
What are the key properties of 5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 331.30 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).