[7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone

C24H22N8OS — CID 11626945

About [7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone

[7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone (PubChem CID 11626945) has the molecular formula C24H22N8OS and a molecular weight of 470.56 g/mol. Its IUPAC name is [7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

• Compound Name: [7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
• PubChem CID: 11626945
• Molecular Formula: C24H22N8OS
• Molecular Weight: 470.56 g/mol
• Exact Mass: 470.16
• IUPAC Name: [7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
• SMILES: O=C(c1cccs1)c1cnn2c(-c3cccc(-c4nnn(CCN5CCCC5)n4)c3)ccnc12
• InChI: InChI=1S/C24H22N8OS/c33-22(21-7-4-14-34-21)19-16-26-32-20(8-9-25-24(19)32)17-5-3-6-18(15-17)23-27-29-31(28-23)13-12-30-10-1-2-11-30/h3-9,14-16H,1-2,10-13H2
• InChIKey: FSOAYVOOVMRUFG-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 94.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.56
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone?

The IUPAC name of [7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone (CID 11626945) is [7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone.

What is the SMILES notation for [7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone?

The canonical SMILES for [7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1cnn2c(-c3cccc(-c4nnn(CCN5CCCC5)n4)c3)ccnc12.

What is the InChIKey of [7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone?

The InChIKey is FSOAYVOOVMRUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8OS/c33-22(21-7-4-14-34-21)19-16-26-32-20(8-9-25-24(19)32)17-5-3-6-18(15-17)23-27-29-31(28-23)13-12-30-10-1-2-11-30/h3-9,14-16H,1-2,10-13H2.

What are the key properties of [7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone?

[7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 470.56 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 11626945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).