6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C17H14N2O2 — CID 50969145

IUPAC6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1c(CN2Cc3ncccc3C2=O)oc2ccccc12
InChIInChI=1S/C17H14N2O2/c1-11-12-5-2-3-7-15(12)21-16(11)10-19-9-14-13(17(19)20)6-4-8-18-14/h2-8H,9-10H2,1H3
InChIKeyAYELVHYQDWDNHZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.29
Rot. Bonds2

About 6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 50969145) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID50969145
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1c(CN2Cc3ncccc3C2=O)oc2ccccc12
InChIInChI=1S/C17H14N2O2/c1-11-12-5-2-3-7-15(12)21-16(11)10-19-9-14-13(17(19)20)6-4-8-18-14/h2-8H,9-10H2,1H3
InChIKeyAYELVHYQDWDNHZ-UHFFFAOYSA-N
XLogP3.29
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 50969145) is 6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1c(CN2Cc3ncccc3C2=O)oc2ccccc12.
What is the InChIKey of 6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is AYELVHYQDWDNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-12-5-2-3-7-15(12)21-16(11)10-19-9-14-13(17(19)20)6-4-8-18-14/h2-8H,9-10H2,1H3.
What are the key properties of 6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 278.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 50969145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).