7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C38H22N4S3 — CID 21356990

About 7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 21356990) has the molecular formula C38H22N4S3 and a molecular weight of 630.82 g/mol. Its IUPAC name is 7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

• Compound Name: 7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• PubChem CID: 21356990
• Molecular Formula: C38H22N4S3
• Molecular Weight: 630.82 g/mol
• Exact Mass: 630.10
• IUPAC Name: 7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• SMILES: c1csc(-n2c(-c3ccc(-c4ccc(-n5c6ccsc6c6sccc65)c5ccccc45)c4ccccc34)nc3cccnc32)c1
• InChI: InChI=1S/C38H22N4S3/c1-2-9-25-23(7-1)26(13-14-29(25)37-40-30-11-5-19-39-38(30)42(37)34-12-6-20-43-34)27-15-16-31(28-10-4-3-8-24(27)28)41-32-17-21-44-35(32)36-33(41)18-22-45-36/h1-22H
• InChIKey: CCIPRNMABLWTSF-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 35.64 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.82
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

The IUPAC name of 7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 21356990) is 7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

What is the SMILES notation for 7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

The canonical SMILES for 7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is c1csc(-n2c(-c3ccc(-c4ccc(-n5c6ccsc6c6sccc65)c5ccccc45)c4ccccc34)nc3cccnc32)c1.

What is the InChIKey of 7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

The InChIKey is CCIPRNMABLWTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4S3/c1-2-9-25-23(7-1)26(13-14-29(25)37-40-30-11-5-19-39-38(30)42(37)34-12-6-20-43-34)27-15-16-31(28-10-4-3-8-24(27)28)41-32-17-21-44-35(32)36-33(41)18-22-45-36/h1-22H.

What are the key properties of 7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?

7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 630.82 g/mol, XLogP of 11.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[4-(3-thiophen-2-ylimidazo[4,5-b]pyridin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 21356990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).