3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol

C22H26N8O2 — CID 172550901

About 3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol

3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol (PubChem CID 172550901) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol.

Molecular Properties

• Compound Name: 3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol
• PubChem CID: 172550901
• Molecular Formula: C22H26N8O2
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.22
• IUPAC Name: 3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol
• SMILES: Cn1cc(-c2ccc3c(N4CCN(c5ncc(CC(O)CO)cn5)CC4)cnn3c2)cn1
• InChI: InChI=1S/C22H26N8O2/c1-27-13-18(11-25-27)17-2-3-20-21(12-26-30(20)14-17)28-4-6-29(7-5-28)22-23-9-16(10-24-22)8-19(32)15-31/h2-3,9-14,19,31-32H,4-8,15H2,1H3
• InChIKey: YFLBUCJAXQLDGP-UHFFFAOYSA-N
• XLogP: 0.75
• TPSA: 107.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol?

The IUPAC name of 3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol (CID 172550901) is 3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol.

What is the SMILES notation for 3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol?

The canonical SMILES for 3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol is Cn1cc(-c2ccc3c(N4CCN(c5ncc(CC(O)CO)cn5)CC4)cnn3c2)cn1.

What is the InChIKey of 3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol?

The InChIKey is YFLBUCJAXQLDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-27-13-18(11-25-27)17-2-3-20-21(12-26-30(20)14-17)28-4-6-29(7-5-28)22-23-9-16(10-24-22)8-19(32)15-31/h2-3,9-14,19,31-32H,4-8,15H2,1H3.

What are the key properties of 3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol?

3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol has a molecular weight of 434.50 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol is sourced from PubChem (CID 172550901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).