1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine

C19H16N2OS — CID 58149826

IUPAC1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(Cn2ccc3ccnc(-c4cccs4)c32)cc1
InChIInChI=1S/C19H16N2OS/c1-22-16-6-4-14(5-7-16)13-21-11-9-15-8-10-20-18(19(15)21)17-3-2-12-23-17/h2-12H,13H2,1H3
InChIKeyCVNYCWZDJGCLPG-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.82
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine

1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine (PubChem CID 58149826) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine
PubChem CID58149826
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(Cn2ccc3ccnc(-c4cccs4)c32)cc1
InChIInChI=1S/C19H16N2OS/c1-22-16-6-4-14(5-7-16)13-21-11-9-15-8-10-20-18(19(15)21)17-3-2-12-23-17/h2-12H,13H2,1H3
InChIKeyCVNYCWZDJGCLPG-UHFFFAOYSA-N
XLogP4.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine (CID 58149826) is 1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine is COc1ccc(Cn2ccc3ccnc(-c4cccs4)c32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine?
The InChIKey is CVNYCWZDJGCLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-22-16-6-4-14(5-7-16)13-21-11-9-15-8-10-20-18(19(15)21)17-3-2-12-23-17/h2-12H,13H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine?
1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine has a molecular weight of 320.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-7-thiophen-2-ylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 58149826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).