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

C18H14F3N3O — CID 122654800

IUPAC7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C18H14F3N3O/c1-9-5-13(7-12-8-15(25)23-16(9)12)24-10(2)6-11-3-4-14(18(19,20)21)22-17(11)24/h3-7H,8H2,1-2H3,(H,23,25)
InChIKeyIVJJHIXJXYLDDV-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.16
Rot. Bonds1

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

7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 122654800) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
PubChem CID122654800
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C18H14F3N3O/c1-9-5-13(7-12-8-15(25)23-16(9)12)24-10(2)6-11-3-4-14(18(19,20)21)22-17(11)24/h3-7H,8H2,1-2H3,(H,23,25)
InChIKeyIVJJHIXJXYLDDV-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one (CID 122654800) is 7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one is Cc1cc(-n2c(C)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2.
What is the InChIKey of 7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is IVJJHIXJXYLDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c1-9-5-13(7-12-8-15(25)23-16(9)12)24-10(2)6-11-3-4-14(18(19,20)21)22-17(11)24/h3-7H,8H2,1-2H3,(H,23,25).
What are the key properties of 7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 345.32 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).