ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate

C24H27N9O4S — CID 23996107

About ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate

ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate (PubChem CID 23996107) has the molecular formula C24H27N9O4S and a molecular weight of 537.61 g/mol. Its IUPAC name is ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate
• PubChem CID: 23996107
• Molecular Formula: C24H27N9O4S
• Molecular Weight: 537.61 g/mol
• Exact Mass: 537.19
• IUPAC Name: ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate
• SMILES: CCOC(=O)c1nc(NC(=O)c2csc(C3CCN(C(=O)c4nnc5cc(C)nn5c4C)CC3)n2)cn1C
• InChI: InChI=1S/C24H27N9O4S/c1-5-37-24(36)20-26-17(11-31(20)4)27-21(34)16-12-38-22(25-16)15-6-8-32(9-7-15)23(35)19-14(3)33-18(28-29-19)10-13(2)30-33/h10-12,15H,5-9H2,1-4H3,(H,27,34)
• InChIKey: QDKASNZDVGGXPY-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 149.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.61
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate?

The IUPAC name of ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate (CID 23996107) is ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate.

What is the SMILES notation for ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate?

The canonical SMILES for ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate is CCOC(=O)c1nc(NC(=O)c2csc(C3CCN(C(=O)c4nnc5cc(C)nn5c4C)CC3)n2)cn1C.

What is the InChIKey of ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate?

The InChIKey is QDKASNZDVGGXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O4S/c1-5-37-24(36)20-26-17(11-31(20)4)27-21(34)16-12-38-22(25-16)15-6-8-32(9-7-15)23(35)19-14(3)33-18(28-29-19)10-13(2)30-33/h10-12,15H,5-9H2,1-4H3,(H,27,34).

What are the key properties of ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate?

ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate has a molecular weight of 537.61 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate is sourced from PubChem (CID 23996107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).