5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C22H29N5O3 — CID 42874633

About 5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 42874633) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 42874633
• Molecular Formula: C22H29N5O3
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.23
• IUPAC Name: 5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1cccc(C(=O)N2CCc3[nH]nc(C(=O)NCCN4CCCCC4)c3C2)c1
• InChI: InChI=1S/C22H29N5O3/c1-30-17-7-5-6-16(14-17)22(29)27-12-8-19-18(15-27)20(25-24-19)21(28)23-9-13-26-10-3-2-4-11-26/h5-7,14H,2-4,8-13,15H2,1H3,(H,23,28)(H,24,25)
• InChIKey: JGOZLWZRXGUYQQ-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 42874633) is 5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is COc1cccc(C(=O)N2CCc3[nH]nc(C(=O)NCCN4CCCCC4)c3C2)c1.

What is the InChIKey of 5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is JGOZLWZRXGUYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-30-17-7-5-6-16(14-17)22(29)27-12-8-19-18(15-27)20(25-24-19)21(28)23-9-13-26-10-3-2-4-11-26/h5-7,14H,2-4,8-13,15H2,1H3,(H,23,28)(H,24,25).

What are the key properties of 5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 42874633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).