4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C18H12ClFN2OS — CID 90226141

IUPAC4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(F)ccc1-c1c[nH]c2nccc(-c3csc(Cl)c3)c12
InChIInChI=1S/C18H12ClFN2OS/c1-23-15-7-11(20)2-3-13(15)14-8-22-18-17(14)12(4-5-21-18)10-6-16(19)24-9-10/h2-9H,1H3,(H,21,22)
InChIKeyOQWIDKFNXNIRGQ-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.76
Rot. Bonds3

About 4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90226141) has the molecular formula C18H12ClFN2OS and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90226141
Molecular FormulaC18H12ClFN2OS
Molecular Weight358.83 g/mol
Exact Mass358.03
IUPAC Name4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(F)ccc1-c1c[nH]c2nccc(-c3csc(Cl)c3)c12
InChIInChI=1S/C18H12ClFN2OS/c1-23-15-7-11(20)2-3-13(15)14-8-22-18-17(14)12(4-5-21-18)10-6-16(19)24-9-10/h2-9H,1H3,(H,21,22)
InChIKeyOQWIDKFNXNIRGQ-UHFFFAOYSA-N
XLogP5.76
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 90226141) is 4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1cc(F)ccc1-c1c[nH]c2nccc(-c3csc(Cl)c3)c12.
What is the InChIKey of 4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OQWIDKFNXNIRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2OS/c1-23-15-7-11(20)2-3-13(15)14-8-22-18-17(14)12(4-5-21-18)10-6-16(19)24-9-10/h2-9H,1H3,(H,21,22).
What are the key properties of 4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 358.83 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-3-yl)-3-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90226141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).