N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C46H51F2N13O4 — CID 175761351

About N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 175761351) has the molecular formula C46H51F2N13O4 and a molecular weight of 888.00 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 175761351
• Molecular Formula: C46H51F2N13O4
• Molecular Weight: 888.00 g/mol
• Exact Mass: 887.42
• IUPAC Name: N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nn(C2CCC(=O)NC2=O)c2cccc(-c3cnn(C4CC5(C4)CN(CC4CCC(n6cc(NC(=O)c7cnn8ccc(N9CCOC%10(CC%10)C9)nc78)c(C(F)F)n6)CC4)C5)c3)c12
• InChI: InChI=1S/C46H51F2N13O4/c1-27-39-32(3-2-4-35(39)61(54-27)36-9-10-38(62)53-44(36)64)29-19-49-59(22-29)31-17-45(18-31)24-56(25-45)21-28-5-7-30(8-6-28)60-23-34(40(55-60)41(47)48)51-43(63)33-20-50-58-14-11-37(52-42(33)58)57-15-16-65-46(26-57)12-13-46/h2-4,11,14,19-20,22-23,28,30-31,36,41H,5-10,12-13,15-18,21,24-26H2,1H3,(H,51,63)(H,53,62,64)
• InChIKey: JXDMJUJUMYTHRO-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 174.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	888.00
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

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-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 175761351) is N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn(C2CCC(=O)NC2=O)c2cccc(-c3cnn(C4CC5(C4)CN(CC4CCC(n6cc(NC(=O)c7cnn8ccc(N9CCOC%10(CC%10)C9)nc78)c(C(F)F)n6)CC4)C5)c3)c12.

What is the InChIKey of N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JXDMJUJUMYTHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H51F2N13O4/c1-27-39-32(3-2-4-35(39)61(54-27)36-9-10-38(62)53-44(36)64)29-19-49-59(22-29)31-17-45(18-31)24-56(25-45)21-28-5-7-30(8-6-28)60-23-34(40(55-60)41(47)48)51-43(63)33-20-50-58-14-11-37(52-42(33)58)57-15-16-65-46(26-57)12-13-46/h2-4,11,14,19-20,22-23,28,30-31,36,41H,5-10,12-13,15-18,21,24-26H2,1H3,(H,51,63)(H,53,62,64).

What are the key properties of N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 888.00 g/mol, XLogP of 6.05, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethyl)-1-[4-[[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 175761351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).