N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C44H48N10O6 — CID 166537038

About N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166537038) has the molecular formula C44H48N10O6 and a molecular weight of 812.93 g/mol. Its IUPAC name is N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 166537038
• Molecular Formula: C44H48N10O6
• Molecular Weight: 812.93 g/mol
• Exact Mass: 812.38
• IUPAC Name: N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Nc1cc(OCC2CC2)c(NC(=O)c2cnn3cccnc23)cc1/C=N/C1CCN(C2CCC3(CC2)CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)CC1
• InChI: InChI=1S/C44H48N10O6/c45-34-20-37(60-23-26-2-3-26)35(49-40(56)33-22-48-53-15-1-14-46-39(33)53)18-27(34)21-47-28-10-16-51(17-11-28)29-8-12-44(13-9-29)24-52(25-44)30-4-5-31-32(19-30)43(59)54(42(31)58)36-6-7-38(55)50-41(36)57/h1,4-5,14-15,18-22,26,28-29,36H,2-3,6-13,16-17,23-25,45H2,(H,49,56)(H,50,55,57)/b47-21+
• InChIKey: VZWKMEYMAZILIE-UHIGXYKMSA-N
• XLogP: 4.09
• TPSA: 196.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.93
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166537038) is N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1cc(OCC2CC2)c(NC(=O)c2cnn3cccnc23)cc1/C=N/C1CCN(C2CCC3(CC2)CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)CC1.

What is the InChIKey of N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is VZWKMEYMAZILIE-UHIGXYKMSA-N. The full InChI is InChI=1S/C44H48N10O6/c45-34-20-37(60-23-26-2-3-26)35(49-40(56)33-22-48-53-15-1-14-46-39(33)53)18-27(34)21-47-28-10-16-51(17-11-28)29-8-12-44(13-9-29)24-52(25-44)30-4-5-31-32(19-30)43(59)54(42(31)58)36-6-7-38(55)50-41(36)57/h1,4-5,14-15,18-22,26,28-29,36H,2-3,6-13,16-17,23-25,45H2,(H,49,56)(H,50,55,57)/b47-21+.

What are the key properties of N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 812.93 g/mol, XLogP of 4.09, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-2-(cyclopropylmethoxy)-5-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperidin-4-yl]iminomethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166537038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).