N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C42H49F2N11O5 — CID 170024485

About N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 170024485) has the molecular formula C42H49F2N11O5 and a molecular weight of 825.92 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 170024485
• Molecular Formula: C42H49F2N11O5
• Molecular Weight: 825.92 g/mol
• Exact Mass: 825.39
• IUPAC Name: N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cn1nc(C2CCC(=O)NC2=O)c2cccc(CCC3CN(CC4CCC(n5cc(NC(=O)c6cnn7ccc(N8C[C@H]9C[C@@H]8CO9)nc67)c(C(F)F)n5)CC4)CCO3)c21
• InChI: InChI=1S/C42H49F2N11O5/c1-51-38-25(3-2-4-30(38)36(49-51)31-11-12-35(56)48-41(31)57)7-10-28-20-52(15-16-59-28)19-24-5-8-26(9-6-24)55-22-33(37(50-55)39(43)44)46-42(58)32-18-45-54-14-13-34(47-40(32)54)53-21-29-17-27(53)23-60-29/h2-4,13-14,18,22,24,26-29,31,39H,5-12,15-17,19-21,23H2,1H3,(H,46,58)(H,48,56,57)/t24?,26?,27-,28?,29-,31?/m1/s1
• InChIKey: RKQKXACRDLSJHH-RBHDQPCYSA-N
• XLogP: 4.57
• TPSA: 166.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.92
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 170024485) is N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1nc(C2CCC(=O)NC2=O)c2cccc(CCC3CN(CC4CCC(n5cc(NC(=O)c6cnn7ccc(N8C[C@H]9C[C@@H]8CO9)nc67)c(C(F)F)n5)CC4)CCO3)c21.

What is the InChIKey of N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is RKQKXACRDLSJHH-RBHDQPCYSA-N. The full InChI is InChI=1S/C42H49F2N11O5/c1-51-38-25(3-2-4-30(38)36(49-51)31-11-12-35(56)48-41(31)57)7-10-28-20-52(15-16-59-28)19-24-5-8-26(9-6-24)55-22-33(37(50-55)39(43)44)46-42(58)32-18-45-54-14-13-34(47-40(32)54)53-21-29-17-27(53)23-60-29/h2-4,13-14,18,22,24,26-29,31,39H,5-12,15-17,19-21,23H2,1H3,(H,46,58)(H,48,56,57)/t24?,26?,27-,28?,29-,31?/m1/s1.

What are the key properties of N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 825.92 g/mol, XLogP of 4.57, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethyl)-1-[4-[[2-[2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]ethyl]morpholin-4-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 170024485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).