1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one

C18H20N2O2 — CID 141388995

IUPAC1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCC(COC)n1cc(-c2ccccc2)c2c(=O)[nH]ccc21
InChIInChI=1S/C18H20N2O2/c1-3-14(12-22-2)20-11-15(13-7-5-4-6-8-13)17-16(20)9-10-19-18(17)21/h4-11,14H,3,12H2,1-2H3,(H,19,21)
InChIKeySRIAXZRMRLFNRH-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.59
Rot. Bonds5

About 1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one

1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 141388995) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID141388995
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCC(COC)n1cc(-c2ccccc2)c2c(=O)[nH]ccc21
InChIInChI=1S/C18H20N2O2/c1-3-14(12-22-2)20-11-15(13-7-5-4-6-8-13)17-16(20)9-10-19-18(17)21/h4-11,14H,3,12H2,1-2H3,(H,19,21)
InChIKeySRIAXZRMRLFNRH-UHFFFAOYSA-N
XLogP3.59
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one (CID 141388995) is 1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one is CCC(COC)n1cc(-c2ccccc2)c2c(=O)[nH]ccc21.
What is the InChIKey of 1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is SRIAXZRMRLFNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-14(12-22-2)20-11-15(13-7-5-4-6-8-13)17-16(20)9-10-19-18(17)21/h4-11,14H,3,12H2,1-2H3,(H,19,21).
What are the key properties of 1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one?
1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 296.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutan-2-yl)-3-phenyl-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 141388995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).