N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C43H47F2N11O6 — CID 170024981

About N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 170024981) has the molecular formula C43H47F2N11O6 and a molecular weight of 851.92 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 170024981
• Molecular Formula: C43H47F2N11O6
• Molecular Weight: 851.92 g/mol
• Exact Mass: 851.37
• IUPAC Name: N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cn1nc(C2CCC(=O)NC2=O)c2cccc(C#CCOC3CCN(CC4CCC(n5cc(NC(=O)c6cnn7ccc(N8CCOCC8=O)nc67)c(C(F)F)n5)CC4)CC3)c21
• InChI: InChI=1S/C43H47F2N11O6/c1-52-39-27(4-2-6-30(39)37(50-52)31-11-12-35(57)49-42(31)59)5-3-20-62-29-13-16-53(17-14-29)23-26-7-9-28(10-8-26)56-24-33(38(51-56)40(44)45)47-43(60)32-22-46-55-18-15-34(48-41(32)55)54-19-21-61-25-36(54)58/h2,4,6,15,18,22,24,26,28-29,31,40H,7-14,16-17,19-21,23,25H2,1H3,(H,47,60)(H,49,57,59)
• InChIKey: MUPMUPGCDVEMOM-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 183.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.92
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 170024981) is N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1nc(C2CCC(=O)NC2=O)c2cccc(C#CCOC3CCN(CC4CCC(n5cc(NC(=O)c6cnn7ccc(N8CCOCC8=O)nc67)c(C(F)F)n5)CC4)CC3)c21.

What is the InChIKey of N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is MUPMUPGCDVEMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47F2N11O6/c1-52-39-27(4-2-6-30(39)37(50-52)31-11-12-35(57)49-42(31)59)5-3-20-62-29-13-16-53(17-14-29)23-26-7-9-28(10-8-26)56-24-33(38(51-56)40(44)45)47-43(60)32-22-46-55-18-15-34(48-41(32)55)54-19-21-61-25-36(54)58/h2,4,6,15,18,22,24,26,28-29,31,40H,7-14,16-17,19-21,23,25H2,1H3,(H,47,60)(H,49,57,59).

What are the key properties of N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(difluoromethyl)-1-[4-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 851.92 g/mol, XLogP of 4.15, 10 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-[[4-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(3-oxomorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 170024981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).