N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

C33H29F5N10O6 — CID 172610643

About N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 172610643) has the molecular formula C33H29F5N10O6 and a molecular weight of 756.65 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 172610643
• Molecular Formula: C33H29F5N10O6
• Molecular Weight: 756.65 g/mol
• Exact Mass: 756.22
• IUPAC Name: N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
• SMILES: O=C1CCN(N2C(=O)c3ccc(CN4CCC(n5cc(NC(=O)c6coc(-c7ccnc(NCC(F)(F)F)c7)n6)c(C(F)F)n5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C33H29F5N10O6/c34-27(35)26-22(41-28(50)23-15-54-29(42-23)18-3-7-39-24(12-18)40-16-33(36,37)38)14-46(44-26)19-4-8-45(9-5-19)13-17-1-2-20-21(11-17)31(52)48(30(20)51)47-10-6-25(49)43-32(47)53/h1-3,7,11-12,14-15,19,27H,4-6,8-10,13,16H2,(H,39,40)(H,41,50)(H,43,49,53)
• InChIKey: WTDDXGDRUAOHES-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 187.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.65
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (CID 172610643) is N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is O=C1CCN(N2C(=O)c3ccc(CN4CCC(n5cc(NC(=O)c6coc(-c7ccnc(NCC(F)(F)F)c7)n6)c(C(F)F)n5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The InChIKey is WTDDXGDRUAOHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F5N10O6/c34-27(35)26-22(41-28(50)23-15-54-29(42-23)18-3-7-39-24(12-18)40-16-33(36,37)38)14-46(44-26)19-4-8-45(9-5-19)13-17-1-2-20-21(11-17)31(52)48(30(20)51)47-10-6-25(49)43-32(47)53/h1-3,7,11-12,14-15,19,27H,4-6,8-10,13,16H2,(H,39,40)(H,41,50)(H,43,49,53).

What are the key properties of N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 756.65 g/mol, XLogP of 4.39, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethyl)-1-[1-[[2-(2,4-dioxo-1,3-diazinan-1-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 172610643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).