5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one

C18H12F5N3O — CID 122654514

IUPAC5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C(F)F)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C18H12F5N3O/c1-8-4-11(5-10-7-14(27)25-15(8)10)26-12(16(19)20)6-9-2-3-13(18(21,22)23)24-17(9)26/h2-6,16H,7H2,1H3,(H,25,27)
InChIKeyNGLZUVCIBKYAEF-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.78
Rot. Bonds2

About 5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one

5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 122654514) has the molecular formula C18H12F5N3O and a molecular weight of 381.30 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID122654514
Molecular FormulaC18H12F5N3O
Molecular Weight381.30 g/mol
Exact Mass381.09
IUPAC Name5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C(F)F)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C18H12F5N3O/c1-8-4-11(5-10-7-14(27)25-15(8)10)26-12(16(19)20)6-9-2-3-13(18(21,22)23)24-17(9)26/h2-6,16H,7H2,1H3,(H,25,27)
InChIKeyNGLZUVCIBKYAEF-UHFFFAOYSA-N
XLogP4.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one (CID 122654514) is 5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-n2c(C(F)F)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2.
What is the InChIKey of 5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is NGLZUVCIBKYAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O/c1-8-4-11(5-10-7-14(27)25-15(8)10)26-12(16(19)20)6-9-2-3-13(18(21,22)23)24-17(9)26/h2-6,16H,7H2,1H3,(H,25,27).
What are the key properties of 5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 381.30 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).