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

C44H51F2N11O5 — CID 164596380

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

N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylindazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164596380) has the molecular formula C44H51F2N11O5 and a molecular weight of 851.96 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylindazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylindazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 164596380
• Molecular Formula: C44H51F2N11O5
• Molecular Weight: 851.96 g/mol
• Exact Mass: 851.40
• IUPAC Name: N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylindazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nn([C@@H]2CCC(=O)NC2=O)c2cccc(C#CCOC3CCN(CC4CCC(n5cc(NC(=O)c6cnn7ccc(N8CCO[C@H](C)C8)nc67)c(C(F)F)n5)CC4)CC3)c12
• InChI: InChI=1S/C44H51F2N11O5/c1-27-24-54(20-22-61-27)37-16-19-55-42(49-37)33(23-47-55)43(59)48-34-26-56(52-40(34)41(45)46)31-10-8-29(9-11-31)25-53-17-14-32(15-18-53)62-21-4-6-30-5-3-7-35-39(30)28(2)51-57(35)36-12-13-38(58)50-44(36)60/h3,5,7,16,19,23,26-27,29,31-32,36,41H,8-15,17-18,20-22,24-25H2,1-2H3,(H,48,59)(H,50,58,60)/t27-,29?,31?,36-/m1/s1
• InChIKey: QNOUXIZZUWVWFK-IYIMURENSA-N
• XLogP: 5.24
• TPSA: 166.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	851.96
LogP ≤ 5	5.24
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-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylindazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylindazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164596380) is N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylindazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylindazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn([C@@H]2CCC(=O)NC2=O)c2cccc(C#CCOC3CCN(CC4CCC(n5cc(NC(=O)c6cnn7ccc(N8CCO[C@H](C)C8)nc67)c(C(F)F)n5)CC4)CC3)c12.

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

The InChIKey is QNOUXIZZUWVWFK-IYIMURENSA-N. The full InChI is InChI=1S/C44H51F2N11O5/c1-27-24-54(20-22-61-27)37-16-19-55-42(49-37)33(23-47-55)43(59)48-34-26-56(52-40(34)41(45)46)31-10-8-29(9-11-31)25-53-17-14-32(15-18-53)62-21-4-6-30-5-3-7-35-39(30)28(2)51-57(35)36-12-13-38(58)50-44(36)60/h3,5,7,16,19,23,26-27,29,31-32,36,41H,8-15,17-18,20-22,24-25H2,1-2H3,(H,48,59)(H,50,58,60)/t27-,29?,31?,36-/m1/s1.

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

N-[3-(difluoromethyl)-1-[4-[[4-[3-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylindazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 851.96 g/mol, XLogP of 5.24, 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-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylindazol-4-yl]prop-2-ynoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164596380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).