N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C38H36F5N11O4 — CID 176591870

About N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 176591870) has the molecular formula C38H36F5N11O4 and a molecular weight of 805.77 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 176591870
• Molecular Formula: C38H36F5N11O4
• Molecular Weight: 805.77 g/mol
• Exact Mass: 805.29
• IUPAC Name: N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(N3CCC(N(Cc4ccc(-n5cc(NC(=O)c6cnn7cccnc67)c(C(F)F)n5)cc4)CC(F)(F)F)CC3)c21
• InChI: InChI=1S/C38H36F5N11O4/c1-49-32-27(4-2-5-28(32)54(37(49)58)29-10-11-30(55)47-36(29)57)50-16-12-23(13-17-50)51(21-38(41,42)43)19-22-6-8-24(9-7-22)53-20-26(31(48-53)33(39)40)46-35(56)25-18-45-52-15-3-14-44-34(25)52/h2-9,14-15,18,20,23,29,33H,10-13,16-17,19,21H2,1H3,(H,46,56)(H,47,55,57)
• InChIKey: IDFXENAOSPRSMV-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 156.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.77
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 176591870) is N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(N3CCC(N(Cc4ccc(-n5cc(NC(=O)c6cnn7cccnc67)c(C(F)F)n5)cc4)CC(F)(F)F)CC3)c21.

What is the InChIKey of N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IDFXENAOSPRSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36F5N11O4/c1-49-32-27(4-2-5-28(32)54(37(49)58)29-10-11-30(55)47-36(29)57)50-16-12-23(13-17-50)51(21-38(41,42)43)19-22-6-8-24(9-7-22)53-20-26(31(48-53)33(39)40)46-35(56)25-18-45-52-15-3-14-44-34(25)52/h2-9,14-15,18,20,23,29,33H,10-13,16-17,19,21H2,1H3,(H,46,56)(H,47,55,57).

What are the key properties of N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 805.77 g/mol, XLogP of 4.77, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]methyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 176591870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).