2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide

C22H23N7OS — CID 118239843

About 2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide

2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 118239843) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
• PubChem CID: 118239843
• Molecular Formula: C22H23N7OS
• Molecular Weight: 433.54 g/mol
• Exact Mass: 433.17
• IUPAC Name: 2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
• SMILES: Cc1nc2c(C(N)=O)cccn2c1-c1nc(NCc2cccs2)c2c(n1)N(C)CCC2
• InChI: InChI=1S/C22H23N7OS/c1-13-17(29-10-4-7-15(18(23)30)22(29)25-13)20-26-19(24-12-14-6-5-11-31-14)16-8-3-9-28(2)21(16)27-20/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,23,30)(H,24,26,27)
• InChIKey: SXHCCPDMLXRVGT-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 101.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.54
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide?

The IUPAC name of 2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide (CID 118239843) is 2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide.

What is the SMILES notation for 2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide?

The canonical SMILES for 2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide is Cc1nc2c(C(N)=O)cccn2c1-c1nc(NCc2cccs2)c2c(n1)N(C)CCC2.

What is the InChIKey of 2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide?

The InChIKey is SXHCCPDMLXRVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-13-17(29-10-4-7-15(18(23)30)22(29)25-13)20-26-19(24-12-14-6-5-11-31-14)16-8-3-9-28(2)21(16)27-20/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,23,30)(H,24,26,27).

What are the key properties of 2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide?

2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[8-methyl-4-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 118239843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).