3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole

C22H16N2OS — CID 15723652

IUPAC3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole
SMILESCOc1ccc(-c2cnc3[nH]c4ccccc4c3c2-c2cccs2)cc1
InChIInChI=1S/C22H16N2OS/c1-25-15-10-8-14(9-11-15)17-13-23-22-21(20(17)19-7-4-12-26-19)16-5-2-3-6-18(16)24-22/h2-13H,1H3,(H,23,24)
InChIKeyNCMZCPNFKIHMCX-UHFFFAOYSA-N
MW356.45 g/mol
LogP6.12
Rot. Bonds3

About 3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole

3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole (PubChem CID 15723652) has the molecular formula C22H16N2OS and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole
PubChem CID15723652
Molecular FormulaC22H16N2OS
Molecular Weight356.45 g/mol
Exact Mass356.10
IUPAC Name3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole
SMILESCOc1ccc(-c2cnc3[nH]c4ccccc4c3c2-c2cccs2)cc1
InChIInChI=1S/C22H16N2OS/c1-25-15-10-8-14(9-11-15)17-13-23-22-21(20(17)19-7-4-12-26-19)16-5-2-3-6-18(16)24-22/h2-13H,1H3,(H,23,24)
InChIKeyNCMZCPNFKIHMCX-UHFFFAOYSA-N
XLogP6.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
6-(4-Methoxyphenyl)-5-methyl-3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1481773
2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025793
N-(4-(benzo[d]thiazol-2-yl)-3-methoxyphenyl)-2-methoxy-9H-purin-6-amine
CID 44564817
6-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 44968200
4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 72194540
3-[3-(3-fluoro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 118709554
3-[3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 118709557
4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206345
N-[(4-methoxyphenyl)methyl]-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 858049
4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 2085121

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole?
The IUPAC name of 3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole (CID 15723652) is 3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole is COc1ccc(-c2cnc3[nH]c4ccccc4c3c2-c2cccs2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole?
The InChIKey is NCMZCPNFKIHMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2OS/c1-25-15-10-8-14(9-11-15)17-13-23-22-21(20(17)19-7-4-12-26-19)16-5-2-3-6-18(16)24-22/h2-13H,1H3,(H,23,24).
What are the key properties of 3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole?
3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole has a molecular weight of 356.45 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-thiophen-2-yl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 15723652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).