2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C20H15N3OS — CID 16719976

IUPAC2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(-c4cc5ccccc5s4)c3)cc21
InChIInChI=1S/C20H15N3OS/c24-20-14-11-16(23-15(14)6-8-22-20)12-5-7-21-17(9-12)19-10-13-3-1-2-4-18(13)25-19/h1-5,7,9-11,23H,6,8H2,(H,22,24)
InChIKeyAGSGAJGDMUMJNL-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.24
Rot. Bonds2

About 2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 16719976) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID16719976
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(-c4cc5ccccc5s4)c3)cc21
InChIInChI=1S/C20H15N3OS/c24-20-14-11-16(23-15(14)6-8-22-20)12-5-7-21-17(9-12)19-10-13-3-1-2-4-18(13)25-19/h1-5,7,9-11,23H,6,8H2,(H,22,24)
InChIKeyAGSGAJGDMUMJNL-UHFFFAOYSA-N
XLogP4.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 16719976) is 2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc(-c4cc5ccccc5s4)c3)cc21.
What is the InChIKey of 2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is AGSGAJGDMUMJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c24-20-14-11-16(23-15(14)6-8-22-20)12-5-7-21-17(9-12)19-10-13-3-1-2-4-18(13)25-19/h1-5,7,9-11,23H,6,8H2,(H,22,24).
What are the key properties of 2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 345.43 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzothiophen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 16719976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).