8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

C26H29N5OS — CID 118168317

About 8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168317) has the molecular formula C26H29N5OS and a molecular weight of 459.62 g/mol. Its IUPAC name is 8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 118168317
• Molecular Formula: C26H29N5OS
• Molecular Weight: 459.62 g/mol
• Exact Mass: 459.21
• IUPAC Name: 8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2cc(N3CCC(C)CC3)c3ncc(-c4ccc(C)s4)n3c2)cn1
• InChI: InChI=1S/C26H29N5OS/c1-17-8-10-30(11-9-17)22-12-21(26(32)29-14-20-6-4-18(2)27-13-20)16-31-23(15-28-25(22)31)24-7-5-19(3)33-24/h4-7,12-13,15-17H,8-11,14H2,1-3H3,(H,29,32)
• InChIKey: LMYXJXGWPLOHNN-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.62
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118168317) is 8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(CNC(=O)c2cc(N3CCC(C)CC3)c3ncc(-c4ccc(C)s4)n3c2)cn1.

What is the InChIKey of 8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is LMYXJXGWPLOHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5OS/c1-17-8-10-30(11-9-17)22-12-21(26(32)29-14-20-6-4-18(2)27-13-20)16-31-23(15-28-25(22)31)24-7-5-19(3)33-24/h4-7,12-13,15-17H,8-11,14H2,1-3H3,(H,29,32).

What are the key properties of 8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?

8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 459.62 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).