3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole

C50H33N7OS2 — CID 141125692

About 3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole

3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole (PubChem CID 141125692) has the molecular formula C50H33N7OS2 and a molecular weight of 812.00 g/mol. Its IUPAC name is 3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole
• PubChem CID: 141125692
• Molecular Formula: C50H33N7OS2
• Molecular Weight: 812.00 g/mol
• Exact Mass: 811.22
• IUPAC Name: 3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole
• SMILES: c1ccc(N2N(c3cccc4ccccc34)C(c3cc4ccccc4s3)C(c3ccon3)(c3ccc4ccccc4n3)C2(c2ccc3ccccc3n2)c2nccs2)nc1
• InChI: InChI=1S/C50H33N7OS2/c1-5-17-37-33(12-1)16-11-20-40(37)56-47(42-32-36-15-4-8-21-41(36)60-42)49(44-27-30-58-55-44,43-25-23-34-13-2-6-18-38(34)53-43)50(48-52-29-31-59-48,57(56)46-22-9-10-28-51-46)45-26-24-35-14-3-7-19-39(35)54-45/h1-32,47H
• InChIKey: YAYPZKMTSWJQBS-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 84.07 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.00
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole?

The IUPAC name of 3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole (CID 141125692) is 3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole.

What is the SMILES notation for 3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole?

The canonical SMILES for 3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole is c1ccc(N2N(c3cccc4ccccc34)C(c3cc4ccccc4s3)C(c3ccon3)(c3ccc4ccccc4n3)C2(c2ccc3ccccc3n2)c2nccs2)nc1.

What is the InChIKey of 3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole?

The InChIKey is YAYPZKMTSWJQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N7OS2/c1-5-17-37-33(12-1)16-11-20-40(37)56-47(42-32-36-15-4-8-21-41(36)60-42)49(44-27-30-58-55-44,43-25-23-34-13-2-6-18-38(34)53-43)50(48-52-29-31-59-48,57(56)46-22-9-10-28-51-46)45-26-24-35-14-3-7-19-39(35)54-45/h1-32,47H.

What are the key properties of 3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole?

3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole has a molecular weight of 812.00 g/mol, XLogP of 11.90, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-2-pyridin-2-yl-3,4-di(quinolin-2-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,2-oxazole is sourced from PubChem (CID 141125692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).