N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C26H31ClN6O — CID 56941918

About N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 56941918) has the molecular formula C26H31ClN6O and a molecular weight of 479.03 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 56941918
• Molecular Formula: C26H31ClN6O
• Molecular Weight: 479.03 g/mol
• Exact Mass: 478.22
• IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: Cc1cc(-c2n[nH]c3c2CN(C(=O)NC2CC(C)CN(Cc4ccccc4Cl)C2)CC3)ccn1
• InChI: InChI=1S/C26H31ClN6O/c1-17-11-21(15-32(13-17)14-20-5-3-4-6-23(20)27)29-26(34)33-10-8-24-22(16-33)25(31-30-24)19-7-9-28-18(2)12-19/h3-7,9,12,17,21H,8,10-11,13-16H2,1-2H3,(H,29,34)(H,30,31)
• InChIKey: PSZDTWFIKPAPSY-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 77.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.03
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 56941918) is N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cc(-c2n[nH]c3c2CN(C(=O)NC2CC(C)CN(Cc4ccccc4Cl)C2)CC3)ccn1.

What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is PSZDTWFIKPAPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O/c1-17-11-21(15-32(13-17)14-20-5-3-4-6-23(20)27)29-26(34)33-10-8-24-22(16-33)25(31-30-24)19-7-9-28-18(2)12-19/h3-7,9,12,17,21H,8,10-11,13-16H2,1-2H3,(H,29,34)(H,30,31).

What are the key properties of N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 479.03 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 56941918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).