4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one

C19H15N3O2 — CID 11515215

IUPAC4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cc[nH]c(=O)c3)cc12
InChIInChI=1S/C19H15N3O2/c1-24-17-5-3-2-4-14(17)16-11-22-19-15(16)8-13(10-21-19)12-6-7-20-18(23)9-12/h2-11H,1H3,(H,20,23)(H,21,22)
InChIKeyJIVLCDGDCYWKQW-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.59
Rot. Bonds3

About 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one

4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 11515215) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
PubChem CID11515215
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cc[nH]c(=O)c3)cc12
InChIInChI=1S/C19H15N3O2/c1-24-17-5-3-2-4-14(17)16-11-22-19-15(16)8-13(10-21-19)12-6-7-20-18(23)9-12/h2-11H,1H3,(H,20,23)(H,21,22)
InChIKeyJIVLCDGDCYWKQW-UHFFFAOYSA-N
XLogP3.59
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one (CID 11515215) is 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one is COc1ccccc1-c1c[nH]c2ncc(-c3cc[nH]c(=O)c3)cc12.
What is the InChIKey of 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is JIVLCDGDCYWKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-24-17-5-3-2-4-14(17)16-11-22-19-15(16)8-13(10-21-19)12-6-7-20-18(23)9-12/h2-11H,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one?
4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 317.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 11515215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).