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

C20H19F2N3O — CID 122654546

IUPAC5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C(C)C)cc3ccc(C(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C20H19F2N3O/c1-10(2)16-8-12-4-5-15(19(21)22)23-20(12)25(16)14-6-11(3)18-13(7-14)9-17(26)24-18/h4-8,10,19H,9H2,1-3H3,(H,24,26)
InChIKeyJYYFLLFWKDMDCN-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.89
Rot. Bonds3

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

5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 122654546) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID122654546
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C(C)C)cc3ccc(C(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C20H19F2N3O/c1-10(2)16-8-12-4-5-15(19(21)22)23-20(12)25(16)14-6-11(3)18-13(7-14)9-17(26)24-18/h4-8,10,19H,9H2,1-3H3,(H,24,26)
InChIKeyJYYFLLFWKDMDCN-UHFFFAOYSA-N
XLogP4.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one (CID 122654546) is 5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-n2c(C(C)C)cc3ccc(C(F)F)nc32)cc2c1NC(=O)C2.
What is the InChIKey of 5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is JYYFLLFWKDMDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-10(2)16-8-12-4-5-15(19(21)22)23-20(12)25(16)14-6-11(3)18-13(7-14)9-17(26)24-18/h4-8,10,19H,9H2,1-3H3,(H,24,26).
What are the key properties of 5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 355.39 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(difluoromethyl)-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).