4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H28N6O3 — CID 176919262

About 4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 176919262) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 176919262
• Molecular Formula: C25H28N6O3
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.22
• IUPAC Name: 4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1ccnc(OC2CCC(Oc3cc(N4CC5CCC(C4)O5)cn4ncc(C#N)c34)CC2)n1
• InChI: InChI=1S/C25H28N6O3/c1-16-8-9-27-25(29-16)34-20-4-2-19(3-5-20)33-23-10-18(13-31-24(23)17(11-26)12-28-31)30-14-21-6-7-22(15-30)32-21/h8-10,12-13,19-22H,2-7,14-15H2,1H3
• InChIKey: UVHYXYDWYDWXQM-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 97.80 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 176919262) is 4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1ccnc(OC2CCC(Oc3cc(N4CC5CCC(C4)O5)cn4ncc(C#N)c34)CC2)n1.

What is the InChIKey of 4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is UVHYXYDWYDWXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-16-8-9-27-25(29-16)34-20-4-2-19(3-5-20)33-23-10-18(13-31-24(23)17(11-26)12-28-31)30-14-21-6-7-22(15-30)32-21/h8-10,12-13,19-22H,2-7,14-15H2,1H3.

What are the key properties of 4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 460.54 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 176919262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).