4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid

C26H30N8O3 — CID 67424510

About 4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid

4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (PubChem CID 67424510) has the molecular formula C26H30N8O3 and a molecular weight of 502.58 g/mol. Its IUPAC name is 4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

• Compound Name: 4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
• PubChem CID: 67424510
• Molecular Formula: C26H30N8O3
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.24
• IUPAC Name: 4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
• SMILES: COc1cc(Nc2nc3c(c(C(C)n4nc(C)cc4C)n2)CN(C(=O)O)CC3)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C26H30N8O3/c1-15-10-17(3)34(31-15)18(4)24-20-13-32(26(35)36)9-8-21(20)29-25(30-24)28-19-6-7-22(23(11-19)37-5)33-12-16(2)27-14-33/h6-7,10-12,14,18H,8-9,13H2,1-5H3,(H,35,36)(H,28,29,30)
• InChIKey: ZVCDWEDEPHIFBX-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 123.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?

The IUPAC name of 4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (CID 67424510) is 4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid.

What is the SMILES notation for 4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?

The canonical SMILES for 4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid is COc1cc(Nc2nc3c(c(C(C)n4nc(C)cc4C)n2)CN(C(=O)O)CC3)ccc1-n1cnc(C)c1.

What is the InChIKey of 4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?

The InChIKey is ZVCDWEDEPHIFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3/c1-15-10-17(3)34(31-15)18(4)24-20-13-32(26(35)36)9-8-21(20)29-25(30-24)28-19-6-7-22(23(11-19)37-5)33-12-16(2)27-14-33/h6-7,10-12,14,18H,8-9,13H2,1-5H3,(H,35,36)(H,28,29,30).

What are the key properties of 4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?

4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 502.58 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 67424510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).