4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid

C25H21ClN8O3 — CID 165130846

About 4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid

4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid (PubChem CID 165130846) has the molecular formula C25H21ClN8O3 and a molecular weight of 516.95 g/mol. Its IUPAC name is 4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid
• PubChem CID: 165130846
• Molecular Formula: C25H21ClN8O3
• Molecular Weight: 516.95 g/mol
• Exact Mass: 516.14
• IUPAC Name: 4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid
• SMILES: O=C(Cc1ncn2ccc(Cl)cc12)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)nc(C(=O)O)n1
• InChI: InChI=1S/C25H21ClN8O3/c26-16-5-6-33-13-28-18(19(33)7-16)8-23(35)30-21-9-20(31-24(32-21)25(36)37)27-10-17-12-34-11-15(14-1-2-14)3-4-22(34)29-17/h3-7,9,11-14H,1-2,8,10H2,(H,36,37)(H2,27,30,31,32,35)
• InChIKey: PCPDMOOXNOAZIQ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 138.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.95
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid?

The IUPAC name of 4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid (CID 165130846) is 4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid.

What is the SMILES notation for 4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid?

The canonical SMILES for 4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid is O=C(Cc1ncn2ccc(Cl)cc12)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)nc(C(=O)O)n1.

What is the InChIKey of 4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid?

The InChIKey is PCPDMOOXNOAZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN8O3/c26-16-5-6-33-13-28-18(19(33)7-16)8-23(35)30-21-9-20(31-24(32-21)25(36)37)27-10-17-12-34-11-15(14-1-2-14)3-4-22(34)29-17/h3-7,9,11-14H,1-2,8,10H2,(H,36,37)(H2,27,30,31,32,35).

What are the key properties of 4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid?

4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid has a molecular weight of 516.95 g/mol, XLogP of 3.79, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetyl]amino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 165130846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).