N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C24H24ClN7O3S — CID 3800597

About N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3800597) has the molecular formula C24H24ClN7O3S and a molecular weight of 526.02 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 3800597
• Molecular Formula: C24H24ClN7O3S
• Molecular Weight: 526.02 g/mol
• Exact Mass: 525.13
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc(Cl)cc1NC(=O)c1csc(C2CCN(C(=O)c3nnc4cc(C)nn4c3C)CC2)n1
• InChI: InChI=1S/C24H24ClN7O3S/c1-13-10-20-28-29-21(14(2)32(20)30-13)24(34)31-8-6-15(7-9-31)23-27-18(12-36-23)22(33)26-17-11-16(25)4-5-19(17)35-3/h4-5,10-12,15H,6-9H2,1-3H3,(H,26,33)
• InChIKey: LVCJBONDAVRPBB-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 114.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.02
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 3800597) is N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1csc(C2CCN(C(=O)c3nnc4cc(C)nn4c3C)CC2)n1.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is LVCJBONDAVRPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O3S/c1-13-10-20-28-29-21(14(2)32(20)30-13)24(34)31-8-6-15(7-9-31)23-27-18(12-36-23)22(33)26-17-11-16(25)4-5-19(17)35-3/h4-5,10-12,15H,6-9H2,1-3H3,(H,26,33).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 526.02 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3800597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).