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

C20H18F3N3O — CID 122654504

IUPAC7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C(C)C)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C20H18F3N3O/c1-10(2)15-8-12-4-5-16(20(21,22)23)24-19(12)26(15)14-6-11(3)18-13(7-14)9-17(27)25-18/h4-8,10H,9H2,1-3H3,(H,25,27)
InChIKeyAUUMKGXVWBTUKS-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.97
Rot. Bonds2

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

7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 122654504) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
PubChem CID122654504
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C(C)C)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C20H18F3N3O/c1-10(2)15-8-12-4-5-16(20(21,22)23)24-19(12)26(15)14-6-11(3)18-13(7-14)9-17(27)25-18/h4-8,10H,9H2,1-3H3,(H,25,27)
InChIKeyAUUMKGXVWBTUKS-UHFFFAOYSA-N
XLogP4.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.97
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-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one (CID 122654504) is 7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one is Cc1cc(-n2c(C(C)C)cc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2.
What is the InChIKey of 7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is AUUMKGXVWBTUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-10(2)15-8-12-4-5-16(20(21,22)23)24-19(12)26(15)14-6-11(3)18-13(7-14)9-17(27)25-18/h4-8,10H,9H2,1-3H3,(H,25,27).
What are the key properties of 7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one?
7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 373.38 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).