4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H24ClN7O — CID 126740165

About 4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740165) has the molecular formula C28H24ClN7O and a molecular weight of 510.00 g/mol. Its IUPAC name is 4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126740165
• Molecular Formula: C28H24ClN7O
• Molecular Weight: 510.00 g/mol
• Exact Mass: 509.17
• IUPAC Name: 4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCC(Oc5ccc(Cl)cc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C28H24ClN7O/c1-34-17-22(16-32-34)20-12-26(28-21(13-30)15-33-36(28)18-20)19-2-7-27(31-14-19)35-10-8-25(9-11-35)37-24-5-3-23(29)4-6-24/h2-7,12,14-18,25H,8-11H2,1H3
• InChIKey: VAZHJLKANOPQID-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 84.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.00
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740165) is 4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCC(Oc5ccc(Cl)cc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is VAZHJLKANOPQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN7O/c1-34-17-22(16-32-34)20-12-26(28-21(13-30)15-33-36(28)18-20)19-2-7-27(31-14-19)35-10-8-25(9-11-35)37-24-5-3-23(29)4-6-24/h2-7,12,14-18,25H,8-11H2,1H3.

What are the key properties of 4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 510.00 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).