6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide

C22H17N9O2 — CID 164912483

About 6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 164912483) has the molecular formula C22H17N9O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 164912483
• Molecular Formula: C22H17N9O2
• Molecular Weight: 439.44 g/mol
• Exact Mass: 439.15
• IUPAC Name: 6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1cccc(-c2nc(C(=O)Nc3ccncn3)cn2-c2ccc3ncc(C(N)=O)n3c2)n1
• InChI: InChI=1S/C22H17N9O2/c1-13-3-2-4-15(27-13)21-28-16(22(33)29-18-7-8-24-12-26-18)11-30(21)14-5-6-19-25-9-17(20(23)32)31(19)10-14/h2-12H,1H3,(H2,23,32)(H,24,26,29,33)
• InChIKey: JPIVGYFPDMXCQF-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 145.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.44
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 164912483) is 6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(-c2nc(C(=O)Nc3ccncn3)cn2-c2ccc3ncc(C(N)=O)n3c2)n1.

What is the InChIKey of 6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is JPIVGYFPDMXCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N9O2/c1-13-3-2-4-15(27-13)21-28-16(22(33)29-18-7-8-24-12-26-18)11-30(21)14-5-6-19-25-9-17(20(23)32)31(19)10-14/h2-12H,1H3,(H2,23,32)(H,24,26,29,33).

What are the key properties of 6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(6-methyl-2-pyridinyl)-4-(pyrimidin-4-ylcarbamoyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 164912483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).