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

C28H32N6OS — CID 66806878

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

N-[1-(1-benzothiophen-3-ylmethyl)-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 66806878) has the molecular formula C28H32N6OS and a molecular weight of 500.67 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-ylmethyl)-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-(1-benzothiophen-3-ylmethyl)-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 66806878
• Molecular Formula: C28H32N6OS
• Molecular Weight: 500.67 g/mol
• Exact Mass: 500.24
• IUPAC Name: N-[1-(1-benzothiophen-3-ylmethyl)-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(Cc4csc5ccccc45)C2)CC3)ccn1
• InChI: InChI=1S/C28H32N6OS/c1-18-11-22(15-33(13-18)14-21-17-36-26-6-4-3-5-23(21)26)30-28(35)34-10-8-25-24(16-34)27(32-31-25)20-7-9-29-19(2)12-20/h3-7,9,12,17-18,22H,8,10-11,13-16H2,1-2H3,(H,30,35)(H,31,32)
• InChIKey: IHNRRCGSYVAIPJ-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 77.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.67
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-ylmethyl)-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-(1-benzothiophen-3-ylmethyl)-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 66806878) is N-[1-(1-benzothiophen-3-ylmethyl)-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-(1-benzothiophen-3-ylmethyl)-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-(1-benzothiophen-3-ylmethyl)-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(Cc4csc5ccccc45)C2)CC3)ccn1.

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

The InChIKey is IHNRRCGSYVAIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6OS/c1-18-11-22(15-33(13-18)14-21-17-36-26-6-4-3-5-23(21)26)30-28(35)34-10-8-25-24(16-34)27(32-31-25)20-7-9-29-19(2)12-20/h3-7,9,12,17-18,22H,8,10-11,13-16H2,1-2H3,(H,30,35)(H,31,32).

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

N-[1-(1-benzothiophen-3-ylmethyl)-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 500.67 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1-benzothiophen-3-ylmethyl)-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 66806878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).