(3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C18H12N2O2S — CID 143385108

IUPAC(3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cccc(O)c1)c1c[nH]c2nccc(-c3ccsc3)c12
InChIInChI=1S/C18H12N2O2S/c21-13-3-1-2-11(8-13)17(22)15-9-20-18-16(15)14(4-6-19-18)12-5-7-23-10-12/h1-10,21H,(H,19,20)
InChIKeyKINVESBNFDQJSE-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.23
Rot. Bonds3

About (3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 143385108) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is (3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID143385108
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name(3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cccc(O)c1)c1c[nH]c2nccc(-c3ccsc3)c12
InChIInChI=1S/C18H12N2O2S/c21-13-3-1-2-11(8-13)17(22)15-9-20-18-16(15)14(4-6-19-18)12-5-7-23-10-12/h1-10,21H,(H,19,20)
InChIKeyKINVESBNFDQJSE-UHFFFAOYSA-N
XLogP4.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 143385108) is (3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1cccc(O)c1)c1c[nH]c2nccc(-c3ccsc3)c12.
What is the InChIKey of (3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is KINVESBNFDQJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-13-3-1-2-11(8-13)17(22)15-9-20-18-16(15)14(4-6-19-18)12-5-7-23-10-12/h1-10,21H,(H,19,20).
What are the key properties of (3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 320.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 143385108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).