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

C19H18FN3O — CID 122654604

IUPAC5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C(C)C)cc3cc(F)cnc32)cc2c1NC(=O)C2
InChIInChI=1S/C19H18FN3O/c1-10(2)16-7-13-5-14(20)9-21-19(13)23(16)15-4-11(3)18-12(6-15)8-17(24)22-18/h4-7,9-10H,8H2,1-3H3,(H,22,24)
InChIKeyONMYDQLBQXBWQF-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.09
Rot. Bonds2

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

5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one (PubChem CID 122654604) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one
PubChem CID122654604
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C(C)C)cc3cc(F)cnc32)cc2c1NC(=O)C2
InChIInChI=1S/C19H18FN3O/c1-10(2)16-7-13-5-14(20)9-21-19(13)23(16)15-4-11(3)18-12(6-15)8-17(24)22-18/h4-7,9-10H,8H2,1-3H3,(H,22,24)
InChIKeyONMYDQLBQXBWQF-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one (CID 122654604) is 5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-n2c(C(C)C)cc3cc(F)cnc32)cc2c1NC(=O)C2.
What is the InChIKey of 5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is ONMYDQLBQXBWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-10(2)16-7-13-5-14(20)9-21-19(13)23(16)15-4-11(3)18-12(6-15)8-17(24)22-18/h4-7,9-10H,8H2,1-3H3,(H,22,24).
What are the key properties of 5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one?
5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 323.37 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).