6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H23F2N7O — CID 134436220

About 6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436220) has the molecular formula C25H23F2N7O and a molecular weight of 475.50 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134436220
• Molecular Formula: C25H23F2N7O
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.19
• IUPAC Name: 6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: N#Cc1cnn2cc(OCC(F)F)cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)nc3)c12
• InChI: InChI=1S/C25H23F2N7O/c26-23(27)17-35-21-11-22(25-19(12-28)14-31-34(25)16-21)18-4-5-24(30-13-18)33-9-7-32(8-10-33)15-20-3-1-2-6-29-20/h1-6,11,13-14,16,23H,7-10,15,17H2
• InChIKey: NIPFWOLEZXMWEA-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 82.58 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.50
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436220) is 6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OCC(F)F)cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)nc3)c12.

What is the InChIKey of 6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is NIPFWOLEZXMWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7O/c26-23(27)17-35-21-11-22(25-19(12-28)14-31-34(25)16-21)18-4-5-24(30-13-18)33-9-7-32(8-10-33)15-20-3-1-2-6-29-20/h1-6,11,13-14,16,23H,7-10,15,17H2.

What are the key properties of 6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 475.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,2-difluoroethoxy)-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).