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

C18H15F2N3O — CID 122654369

IUPAC5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C)cc3ccc(C(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C18H15F2N3O/c1-9-5-13(7-12-8-15(24)22-16(9)12)23-10(2)6-11-3-4-14(17(19)20)21-18(11)23/h3-7,17H,8H2,1-2H3,(H,22,24)
InChIKeyMRUJJWNYDYVIGR-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.07
Rot. Bonds2

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

5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 122654369) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID122654369
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C)cc3ccc(C(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C18H15F2N3O/c1-9-5-13(7-12-8-15(24)22-16(9)12)23-10(2)6-11-3-4-14(17(19)20)21-18(11)23/h3-7,17H,8H2,1-2H3,(H,22,24)
InChIKeyMRUJJWNYDYVIGR-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.07
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-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one (CID 122654369) is 5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-n2c(C)cc3ccc(C(F)F)nc32)cc2c1NC(=O)C2.
What is the InChIKey of 5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is MRUJJWNYDYVIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-9-5-13(7-12-8-15(24)22-16(9)12)23-10(2)6-11-3-4-14(17(19)20)21-18(11)23/h3-7,17H,8H2,1-2H3,(H,22,24).
What are the key properties of 5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one?
5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 327.33 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(difluoromethyl)-2-methylpyrrolo[2,3-b]pyridin-1-yl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).