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

C27H30FN7O2S — CID 3481421

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

2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3481421) has the molecular formula C27H30FN7O2S and a molecular weight of 535.65 g/mol. Its IUPAC name is 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 3481421
• Molecular Formula: C27H30FN7O2S
• Molecular Weight: 535.65 g/mol
• Exact Mass: 535.22
• IUPAC Name: 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NC(C)(C)Cc5ccc(F)cc5)cs4)CC3)c(C)n2n1
• InChI: InChI=1S/C27H30FN7O2S/c1-16-13-22-31-32-23(17(2)35(22)33-16)26(37)34-11-9-19(10-12-34)25-29-21(15-38-25)24(36)30-27(3,4)14-18-5-7-20(28)8-6-18/h5-8,13,15,19H,9-12,14H2,1-4H3,(H,30,36)
• InChIKey: ZTQNHCWBFGLLIT-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 105.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.65
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxamide (CID 3481421) is 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxamide is Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NC(C)(C)Cc5ccc(F)cc5)cs4)CC3)c(C)n2n1.

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

The InChIKey is ZTQNHCWBFGLLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O2S/c1-16-13-22-31-32-23(17(2)35(22)33-16)26(37)34-11-9-19(10-12-34)25-29-21(15-38-25)24(36)30-27(3,4)14-18-5-7-20(28)8-6-18/h5-8,13,15,19H,9-12,14H2,1-4H3,(H,30,36).

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

2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 535.65 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3481421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).