5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one

C26H24N4O2 — CID 118059928

IUPAC5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one
SMILESCc1noc(C)c1-c1cnc2c(-c3ccc(=O)n(C)c3)cn(C(C)c3ccccc3)c2c1
InChIInChI=1S/C26H24N4O2/c1-16-25(18(3)32-28-16)21-12-23-26(27-13-21)22(20-10-11-24(31)29(4)14-20)15-30(23)17(2)19-8-6-5-7-9-19/h5-15,17H,1-4H3
InChIKeyFKTBIHLQFBRJNL-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.28
Rot. Bonds4

About 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one

5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one (PubChem CID 118059928) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one
PubChem CID118059928
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one
SMILESCc1noc(C)c1-c1cnc2c(-c3ccc(=O)n(C)c3)cn(C(C)c3ccccc3)c2c1
InChIInChI=1S/C26H24N4O2/c1-16-25(18(3)32-28-16)21-12-23-26(27-13-21)22(20-10-11-24(31)29(4)14-20)15-30(23)17(2)19-8-6-5-7-9-19/h5-15,17H,1-4H3
InChIKeyFKTBIHLQFBRJNL-UHFFFAOYSA-N
XLogP5.28
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one (CID 118059928) is 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one is Cc1noc(C)c1-c1cnc2c(-c3ccc(=O)n(C)c3)cn(C(C)c3ccccc3)c2c1.
What is the InChIKey of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one?
The InChIKey is FKTBIHLQFBRJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-16-25(18(3)32-28-16)21-12-23-26(27-13-21)22(20-10-11-24(31)29(4)14-20)15-30(23)17(2)19-8-6-5-7-9-19/h5-15,17H,1-4H3.
What are the key properties of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one?
5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one has a molecular weight of 424.50 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 118059928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).