1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol

C₂₉H₂₉F₂N₇O — CID 138603843

About 1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol

1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 138603843) has the molecular formula C₂₉H₂₉F₂N₇O and a molecular weight of 529.60 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol
• PubChem CID: 138603843
• Molecular Formula: C₂₉H₂₉F₂N₇O
• Molecular Weight: 529.60 g/mol
• Exact Mass: 529.24
• IUPAC Name: 1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol
• SMILES: Cc1cnn2cc(-c3cnn(C)c3)cc(-c3ccc(N4CCN(CC(O)c5c(F)cccc5F)CC4)nc3)c12
• InChI: InChI=1S/C29H29F2N7O/c1-19-13-34-38-17-21(22-15-33-35(2)16-22)12-23(29(19)38)20-6-7-27(32-14-20)37-10-8-36(9-11-37)18-26(39)28-24(30)4-3-5-25(28)31/h3-7,12-17,26,39H,8-11,18H2,1-2H3
• InChIKey: FHDSLHMOHJAJFD-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 74.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.60
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol?

The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol (CID 138603843) is 1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol.

What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol?

The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol is Cc1cnn2cc(-c3cnn(C)c3)cc(-c3ccc(N4CCN(CC(O)c5c(F)cccc5F)CC4)nc3)c12.

What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol?

The InChIKey is FHDSLHMOHJAJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N7O/c1-19-13-34-38-17-21(22-15-33-35(2)16-22)12-23(29(19)38)20-6-7-27(32-14-20)37-10-8-36(9-11-37)18-26(39)28-24(30)4-3-5-25(28)31/h3-7,12-17,26,39H,8-11,18H2,1-2H3.

What are the key properties of 1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol?

1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 529.60 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-2-[4-[5-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 138603843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 138603843 — identifiers, structure, computed properties (public domain)

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