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

C18H11ClF2N2OS — CID 90226214

IUPAC5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(Cl)s3)cc12
InChIInChI=1S/C18H11ClF2N2OS/c1-24-17-11(5-10(20)6-14(17)21)13-8-23-18-12(13)4-9(7-22-18)15-2-3-16(19)25-15/h2-8H,1H3,(H,22,23)
InChIKeyGMBNZEXTJXMQBD-UHFFFAOYSA-N
MW376.82 g/mol
LogP5.90
Rot. Bonds3

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

5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90226214) has the molecular formula C18H11ClF2N2OS and a molecular weight of 376.82 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90226214
Molecular FormulaC18H11ClF2N2OS
Molecular Weight376.82 g/mol
Exact Mass376.02
IUPAC Name5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(Cl)s3)cc12
InChIInChI=1S/C18H11ClF2N2OS/c1-24-17-11(5-10(20)6-14(17)21)13-8-23-18-12(13)4-9(7-22-18)15-2-3-16(19)25-15/h2-8H,1H3,(H,22,23)
InChIKeyGMBNZEXTJXMQBD-UHFFFAOYSA-N
XLogP5.90
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.82
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 90226214) is 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(Cl)s3)cc12.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GMBNZEXTJXMQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2OS/c1-24-17-11(5-10(20)6-14(17)21)13-8-23-18-12(13)4-9(7-22-18)15-2-3-16(19)25-15/h2-8H,1H3,(H,22,23).
What are the key properties of 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 376.82 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90226214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).