(2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate

C25H24N6O2 — CID 177117950

About (2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate

(2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate (PubChem CID 177117950) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is (2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: (2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate
• PubChem CID: 177117950
• Molecular Formula: C25H24N6O2
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.20
• IUPAC Name: (2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate
• SMILES: Cn1cc(-c2ccc3c(N4CCC(C(=O)OCc5ccccc5C#N)CC4)cnn3c2)cn1
• InChI: InChI=1S/C25H24N6O2/c1-29-15-22(13-27-29)20-6-7-23-24(14-28-31(23)16-20)30-10-8-18(9-11-30)25(32)33-17-21-5-3-2-4-19(21)12-26/h2-7,13-16,18H,8-11,17H2,1H3
• InChIKey: XNBRXLKYUGSNJU-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 88.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate?

The IUPAC name of (2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate (CID 177117950) is (2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate.

What is the SMILES notation for (2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate?

The canonical SMILES for (2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate is Cn1cc(-c2ccc3c(N4CCC(C(=O)OCc5ccccc5C#N)CC4)cnn3c2)cn1.

What is the InChIKey of (2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate?

The InChIKey is XNBRXLKYUGSNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-29-15-22(13-27-29)20-6-7-23-24(14-28-31(23)16-20)30-10-8-18(9-11-30)25(32)33-17-21-5-3-2-4-19(21)12-26/h2-7,13-16,18H,8-11,17H2,1H3.

What are the key properties of (2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate?

(2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate has a molecular weight of 440.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2-cyanophenyl)methyl 1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 177117950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).