N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C43H48N10O5 — CID 166537006

About N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166537006) has the molecular formula C43H48N10O5 and a molecular weight of 784.92 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 166537006
• Molecular Formula: C43H48N10O5
• Molecular Weight: 784.92 g/mol
• Exact Mass: 784.38
• IUPAC Name: N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(C1CCC(n2cc3cc(NC(=O)c4cnn5cccnc45)c(OCC4CC4)cc3n2)CC1)C1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)CC1
• InChI: InChI=1S/C43H48N10O5/c1-49(30-13-17-50(18-14-30)32-6-5-27-23-51(43(57)33(27)20-32)37-11-12-39(54)47-42(37)56)29-7-9-31(10-8-29)53-24-28-19-36(38(21-35(28)48-53)58-25-26-3-4-26)46-41(55)34-22-45-52-16-2-15-44-40(34)52/h2,5-6,15-16,19-22,24,26,29-31,37H,3-4,7-14,17-18,23,25H2,1H3,(H,46,55)(H,47,54,56)
• InChIKey: MEBRBACEAYMLMU-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 159.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.92
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166537006) is N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C1CCC(n2cc3cc(NC(=O)c4cnn5cccnc45)c(OCC4CC4)cc3n2)CC1)C1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)CC1.

What is the InChIKey of N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is MEBRBACEAYMLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N10O5/c1-49(30-13-17-50(18-14-30)32-6-5-27-23-51(43(57)33(27)20-32)37-11-12-39(54)47-42(37)56)29-7-9-31(10-8-29)53-24-28-19-36(38(21-35(28)48-53)58-25-26-3-4-26)46-41(55)34-22-45-52-16-2-15-44-40(34)52/h2,5-6,15-16,19-22,24,26,29-31,37H,3-4,7-14,17-18,23,25H2,1H3,(H,46,55)(H,47,54,56).

What are the key properties of N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 784.92 g/mol, XLogP of 4.97, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(cyclopropylmethoxy)-2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-methylamino]cyclohexyl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166537006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).