1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine

C24H19N3OS — CID 170855460

IUPAC1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc(Cn2cc(-c3ccsc3)c3ccc(-c4ccncc4)nc32)cc1
InChIInChI=1S/C24H19N3OS/c1-28-20-4-2-17(3-5-20)14-27-15-22(19-10-13-29-16-19)21-6-7-23(26-24(21)27)18-8-11-25-12-9-18/h2-13,15-16H,14H2,1H3
InChIKeyQZTPPWBSRSZCKZ-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.88
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine

1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine (PubChem CID 170855460) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine
PubChem CID170855460
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC Name1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc(Cn2cc(-c3ccsc3)c3ccc(-c4ccncc4)nc32)cc1
InChIInChI=1S/C24H19N3OS/c1-28-20-4-2-17(3-5-20)14-27-15-22(19-10-13-29-16-19)21-6-7-23(26-24(21)27)18-8-11-25-12-9-18/h2-13,15-16H,14H2,1H3
InChIKeyQZTPPWBSRSZCKZ-UHFFFAOYSA-N
XLogP5.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethoxyphenyl)-4-(thiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 74766530
N-(2-aminoethyl)-4-(4-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093437
1-[(4-methoxyphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539903
7-[3-Methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine
CID 146025713
6-(4-Methoxyphenyl)-5-methyl-3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1481773
4-[(5-Thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol
CID 11347373
7-Methyl-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 44481057
2-[4-(Piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 44481856
2-(1,4''-Bipiperidin-1''-yl)-6-(2-methoxypyridin-4-yl)thiazolo[4,5-b]pyridine
CID 45482679
2-(1,4''-Bipiperidin-1''-yl)-6-(3-methoxyphenyl)thiazolo[4,5-b]pyridine
CID 45482743
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methoxypyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482775
6-Fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 57448289

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine (CID 170855460) is 1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine is COc1ccc(Cn2cc(-c3ccsc3)c3ccc(-c4ccncc4)nc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine?
The InChIKey is QZTPPWBSRSZCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3OS/c1-28-20-4-2-17(3-5-20)14-27-15-22(19-10-13-29-16-19)21-6-7-23(26-24(21)27)18-8-11-25-12-9-18/h2-13,15-16H,14H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine?
1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine has a molecular weight of 397.50 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-6-pyridin-4-yl-3-thiophen-3-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170855460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).