6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one

C17H15N3O2 — CID 42597486

IUPAC6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(c1cc3ccn(C)c3cn1)C2
InChIInChI=1S/C17H15N3O2/c1-19-6-5-11-7-16(18-9-15(11)19)20-10-12-3-4-13(22-2)8-14(12)17(20)21/h3-9H,10H2,1-2H3
InChIKeyQOZMNJWRFLXNQT-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.74
Rot. Bonds2

About 6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one

6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one (PubChem CID 42597486) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one
PubChem CID42597486
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(c1cc3ccn(C)c3cn1)C2
InChIInChI=1S/C17H15N3O2/c1-19-6-5-11-7-16(18-9-15(11)19)20-10-12-3-4-13(22-2)8-14(12)17(20)21/h3-9H,10H2,1-2H3
InChIKeyQOZMNJWRFLXNQT-UHFFFAOYSA-N
XLogP2.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one?
The IUPAC name of 6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one (CID 42597486) is 6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one is COc1ccc2c(c1)C(=O)N(c1cc3ccn(C)c3cn1)C2.
What is the InChIKey of 6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one?
The InChIKey is QOZMNJWRFLXNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-19-6-5-11-7-16(18-9-15(11)19)20-10-12-3-4-13(22-2)8-14(12)17(20)21/h3-9H,10H2,1-2H3.
What are the key properties of 6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one?
6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one has a molecular weight of 293.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one is sourced from PubChem (CID 42597486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).