piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone

C23H33N5O — CID 45159093

About piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone

piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone (PubChem CID 45159093) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone.

Molecular Properties

• Compound Name: piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
• PubChem CID: 45159093
• Molecular Formula: C23H33N5O
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.27
• IUPAC Name: piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
• SMILES: CCCn1nc(C(=O)N2CCCCC2)c2c1CCC(NCCc1cccnc1)C2
• InChI: InChI=1S/C23H33N5O/c1-2-13-28-21-9-8-19(25-12-10-18-7-6-11-24-17-18)16-20(21)22(26-28)23(29)27-14-4-3-5-15-27/h6-7,11,17,19,25H,2-5,8-10,12-16H2,1H3
• InChIKey: XLSSNOIAWULTNV-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone?

The IUPAC name of piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone (CID 45159093) is piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone.

What is the SMILES notation for piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone?

The canonical SMILES for piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone is CCCn1nc(C(=O)N2CCCCC2)c2c1CCC(NCCc1cccnc1)C2.

What is the InChIKey of piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone?

The InChIKey is XLSSNOIAWULTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-2-13-28-21-9-8-19(25-12-10-18-7-6-11-24-17-18)16-20(21)22(26-28)23(29)27-14-4-3-5-15-27/h6-7,11,17,19,25H,2-5,8-10,12-16H2,1H3.

What are the key properties of piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone?

piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone has a molecular weight of 395.55 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone is sourced from PubChem (CID 45159093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).