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

C16H13N3OS — CID 16719973

IUPAC2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(-c4ccsc4)c3)cc21
InChIInChI=1S/C16H13N3OS/c20-16-12-8-15(19-13(12)2-5-18-16)10-1-4-17-14(7-10)11-3-6-21-9-11/h1,3-4,6-9,19H,2,5H2,(H,18,20)
InChIKeyWZGXWJDLVSXDQC-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.09
Rot. Bonds2

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

2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 16719973) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID16719973
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(-c4ccsc4)c3)cc21
InChIInChI=1S/C16H13N3OS/c20-16-12-8-15(19-13(12)2-5-18-16)10-1-4-17-14(7-10)11-3-6-21-9-11/h1,3-4,6-9,19H,2,5H2,(H,18,20)
InChIKeyWZGXWJDLVSXDQC-UHFFFAOYSA-N
XLogP3.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 16719973) is 2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc(-c4ccsc4)c3)cc21.
What is the InChIKey of 2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is WZGXWJDLVSXDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-16-12-8-15(19-13(12)2-5-18-16)10-1-4-17-14(7-10)11-3-6-21-9-11/h1,3-4,6-9,19H,2,5H2,(H,18,20).
What are the key properties of 2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 295.37 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 16719973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).