N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide

C37H41F3N8O4S — CID 177014124

About N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide

N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide (PubChem CID 177014124) has the molecular formula C37H41F3N8O4S and a molecular weight of 750.85 g/mol. Its IUPAC name is N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide.

Molecular Properties

• Compound Name: N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide
• PubChem CID: 177014124
• Molecular Formula: C37H41F3N8O4S
• Molecular Weight: 750.85 g/mol
• Exact Mass: 750.29
• IUPAC Name: N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide
• SMILES: C/C=C(\CN1CCN(C2COC2)CC1)C(=O)Nc1ccccc1.CCN1C(=O)C(NC(=O)c2csc(C(F)(F)F)n2)Cc2cnn(-c3ccccc3)c21
• InChI: InChI=1S/C19H16F3N5O2S.C18H25N3O2/c1-2-26-16-11(9-23-27(16)12-6-4-3-5-7-12)8-13(17(26)29)24-15(28)14-10-30-18(25-14)19(20,21)22;1-2-15(18(22)19-16-6-4-3-5-7-16)12-20-8-10-21(11-9-20)17-13-23-14-17/h3-7,9-10,13H,2,8H2,1H3,(H,24,28);2-7,17H,8-14H2,1H3,(H,19,22)/b;15-2+
• InChIKey: JCUHWXPUKVGURM-BRACSWQESA-N
• XLogP: 4.64
• TPSA: 124.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	750.85
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide?

The IUPAC name of N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide (CID 177014124) is N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide.

What is the SMILES notation for N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide?

The canonical SMILES for N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide is C/C=C(\CN1CCN(C2COC2)CC1)C(=O)Nc1ccccc1.CCN1C(=O)C(NC(=O)c2csc(C(F)(F)F)n2)Cc2cnn(-c3ccccc3)c21.

What is the InChIKey of N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide?

The InChIKey is JCUHWXPUKVGURM-BRACSWQESA-N. The full InChI is InChI=1S/C19H16F3N5O2S.C18H25N3O2/c1-2-26-16-11(9-23-27(16)12-6-4-3-5-7-12)8-13(17(26)29)24-15(28)14-10-30-18(25-14)19(20,21)22;1-2-15(18(22)19-16-6-4-3-5-7-16)12-20-8-10-21(11-9-20)17-13-23-14-17/h3-7,9-10,13H,2,8H2,1H3,(H,24,28);2-7,17H,8-14H2,1H3,(H,19,22)/b;15-2+.

What are the key properties of N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide?

N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide has a molecular weight of 750.85 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide is sourced from PubChem (CID 177014124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).