N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C38H45F2N11O4 — CID 156823545

About N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[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]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 156823545) has the molecular formula C38H45F2N11O4 and a molecular weight of 757.85 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]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[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]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 156823545
• Molecular Formula: C38H45F2N11O4
• Molecular Weight: 757.85 g/mol
• Exact Mass: 757.36
• IUPAC Name: N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cnc2c(C(=O)Nc3cn(C4CCC(CN(C)C5CCN(c6cccc7c6n(C)c(=O)n7C6CCC(=O)NC6=O)CC5)CC4)nc3C(F)F)cnn2c1
• InChI: InChI=1S/C38H45F2N11O4/c1-22-17-41-35-26(18-42-50(35)19-22)36(53)43-27-21-49(45-32(27)34(39)40)25-9-7-23(8-10-25)20-46(2)24-13-15-48(16-14-24)28-5-4-6-29-33(28)47(3)38(55)51(29)30-11-12-31(52)44-37(30)54/h4-6,17-19,21,23-25,30,34H,7-16,20H2,1-3H3,(H,43,53)(H,44,52,54)
• InChIKey: AMMPZRXGKVANDV-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 156.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.85
LogP ≤ 5	4.39
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]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[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]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 156823545) is N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[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]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[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]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)Nc3cn(C4CCC(CN(C)C5CCN(c6cccc7c6n(C)c(=O)n7C6CCC(=O)NC6=O)CC5)CC4)nc3C(F)F)cnn2c1.

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]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AMMPZRXGKVANDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45F2N11O4/c1-22-17-41-35-26(18-42-50(35)19-22)36(53)43-27-21-49(45-32(27)34(39)40)25-9-7-23(8-10-25)20-46(2)24-13-15-48(16-14-24)28-5-4-6-29-33(28)47(3)38(55)51(29)30-11-12-31(52)44-37(30)54/h4-6,17-19,21,23-25,30,34H,7-16,20H2,1-3H3,(H,43,53)(H,44,52,54).

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]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[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]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 757.85 g/mol, XLogP of 4.39, 9 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]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 156823545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).