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

C26H27N9O2S — CID 3437259

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

N-(2-cyanoethyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 3437259) has the molecular formula C26H27N9O2S and a molecular weight of 529.63 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-cyanoethyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 3437259
• Molecular Formula: C26H27N9O2S
• Molecular Weight: 529.63 g/mol
• Exact Mass: 529.20
• IUPAC Name: N-(2-cyanoethyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)N(CCC#N)Cc5cccnc5)cs4)CC3)c(C)n2n1
• InChI: InChI=1S/C26H27N9O2S/c1-17-13-22-30-31-23(18(2)35(22)32-17)26(37)33-11-6-20(7-12-33)24-29-21(16-38-24)25(36)34(10-4-8-27)15-19-5-3-9-28-14-19/h3,5,9,13-14,16,20H,4,6-7,10-12,15H2,1-2H3
• InChIKey: AZNXQDQKPVOCGY-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 133.27 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.63
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-(2-cyanoethyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 3437259) is N-(2-cyanoethyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for N-(2-cyanoethyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)N(CCC#N)Cc5cccnc5)cs4)CC3)c(C)n2n1.

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

The InChIKey is AZNXQDQKPVOCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9O2S/c1-17-13-22-30-31-23(18(2)35(22)32-17)26(37)33-11-6-20(7-12-33)24-29-21(16-38-24)25(36)34(10-4-8-27)15-19-5-3-9-28-14-19/h3,5,9,13-14,16,20H,4,6-7,10-12,15H2,1-2H3.

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

N-(2-cyanoethyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 529.63 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanoethyl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3437259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).