3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine

C25H24N6 — CID 167059477

About 3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine

3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 167059477) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine
• PubChem CID: 167059477
• Molecular Formula: C25H24N6
• Molecular Weight: 408.51 g/mol
• Exact Mass: 408.21
• IUPAC Name: 3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine
• SMILES: C=Cc1nccc(-c2cnn3cc(-c4ccc(C5CCNCC5)cn4)cnc23)c1C=C
• InChI: InChI=1S/C25H24N6/c1-3-20-21(9-12-27-23(20)4-2)22-15-30-31-16-19(14-29-25(22)31)24-6-5-18(13-28-24)17-7-10-26-11-8-17/h3-6,9,12-17,26H,1-2,7-8,10-11H2
• InChIKey: UKTVZHALXYGGPC-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 68.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.51
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine?

The IUPAC name of 3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine (CID 167059477) is 3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine is C=Cc1nccc(-c2cnn3cc(-c4ccc(C5CCNCC5)cn4)cnc23)c1C=C.

What is the InChIKey of 3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine?

The InChIKey is UKTVZHALXYGGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-3-20-21(9-12-27-23(20)4-2)22-15-30-31-16-19(14-29-25(22)31)24-6-5-18(13-28-24)17-7-10-26-11-8-17/h3-6,9,12-17,26H,1-2,7-8,10-11H2.

What are the key properties of 3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine?

3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 408.51 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,3-bis(ethenyl)-4-pyridinyl]-6-(5-piperidin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 167059477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).