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

C28H25F2N9 — CID 146528470

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

2-amino-4-[6-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146528470) has the molecular formula C28H25F2N9 and a molecular weight of 525.57 g/mol. Its IUPAC name is 2-amino-4-[6-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-4-[6-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146528470
• Molecular Formula: C28H25F2N9
• Molecular Weight: 525.57 g/mol
• Exact Mass: 525.22
• IUPAC Name: 2-amino-4-[6-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5cc(F)ccc5F)CC4)nc3)c3c(C#N)c(N)nn3c2)cn1
• InChI: InChI=1S/C28H25F2N9/c1-36-15-21(14-34-36)19-11-23(27-24(12-31)28(32)35-39(27)17-19)18-2-5-26(33-13-18)38-8-6-37(7-9-38)16-20-10-22(29)3-4-25(20)30/h2-5,10-11,13-15,17H,6-9,16H2,1H3,(H2,32,35)
• InChIKey: ZFZJFXFYDRJLRC-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 104.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.57
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-amino-4-[6-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146528470) is 2-amino-4-[6-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 2-amino-4-[6-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5cc(F)ccc5F)CC4)nc3)c3c(C#N)c(N)nn3c2)cn1.

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

The InChIKey is ZFZJFXFYDRJLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N9/c1-36-15-21(14-34-36)19-11-23(27-24(12-31)28(32)35-39(27)17-19)18-2-5-26(33-13-18)38-8-6-37(7-9-38)16-20-10-22(29)3-4-25(20)30/h2-5,10-11,13-15,17H,6-9,16H2,1H3,(H2,32,35).

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

2-amino-4-[6-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 525.57 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[6-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146528470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).