4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C33H32N6 — CID 168856982

About 4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 168856982) has the molecular formula C33H32N6 and a molecular weight of 512.66 g/mol. Its IUPAC name is 4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 168856982
• Molecular Formula: C33H32N6
• Molecular Weight: 512.66 g/mol
• Exact Mass: 512.27
• IUPAC Name: 4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC(C)c1ccc(-c2cc(-c3ccc(N4CCC(Nc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cc1
• InChI: InChI=1S/C33H32N6/c1-23(2)24-8-10-25(11-9-24)27-18-31(33-28(19-34)21-36-39(33)22-27)26-12-13-32(35-20-26)38-16-14-30(15-17-38)37-29-6-4-3-5-7-29/h3-13,18,20-23,30,37H,14-17H2,1-2H3
• InChIKey: AAEVGRBIPDFJLF-UHFFFAOYSA-N
• XLogP: 7.14
• TPSA: 69.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.66
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 168856982) is 4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)c1ccc(-c2cc(-c3ccc(N4CCC(Nc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cc1.

What is the InChIKey of 4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is AAEVGRBIPDFJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N6/c1-23(2)24-8-10-25(11-9-24)27-18-31(33-28(19-34)21-36-39(33)22-27)26-12-13-32(35-20-26)38-16-14-30(15-17-38)37-29-6-4-3-5-7-29/h3-13,18,20-23,30,37H,14-17H2,1-2H3.

What are the key properties of 4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 512.66 g/mol, XLogP of 7.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 168856982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).