5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide

C44H55N9O11 — CID 159833170

About 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide

5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 159833170) has the molecular formula C44H55N9O11 and a molecular weight of 885.98 g/mol. Its IUPAC name is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide
• PubChem CID: 159833170
• Molecular Formula: C44H55N9O11
• Molecular Weight: 885.98 g/mol
• Exact Mass: 885.40
• IUPAC Name: 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide
• SMILES: COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)cc(OCCOCCOCCOCCOCCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1
• InChI: InChI=1S/C44H55N9O11/c1-59-29-24-28(48-39-37(38(46)55)40-47-13-14-52(40)44(51-39)49-33-10-3-2-9-32(33)45)25-30(26-29)64-23-22-63-21-20-62-19-18-61-17-16-60-15-5-7-27-6-4-8-31-36(27)43(58)53(42(31)57)34-11-12-35(54)50-41(34)56/h4,6,8,13-14,24-26,32-34,48H,2-3,5,7,9-12,15-23,45H2,1H3,(H2,46,55)(H,49,51)(H,50,54,56)/t32-,33+,34?/m1/s1
• InChIKey: NNSGLJMPGYUGGC-KQANOFOUSA-N
• XLogP: 2.74
• TPSA: 262.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.98
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide?

The IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide (CID 159833170) is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide.

What is the SMILES notation for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide?

The canonical SMILES for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)cc(OCCOCCOCCOCCOCCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1.

What is the InChIKey of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide?

The InChIKey is NNSGLJMPGYUGGC-KQANOFOUSA-N. The full InChI is InChI=1S/C44H55N9O11/c1-59-29-24-28(48-39-37(38(46)55)40-47-13-14-52(40)44(51-39)49-33-10-3-2-9-32(33)45)25-30(26-29)64-23-22-63-21-20-62-19-18-61-17-16-60-15-5-7-27-6-4-8-31-36(27)43(58)53(42(31)57)34-11-12-35(54)50-41(34)56/h4,6,8,13-14,24-26,32-34,48H,2-3,5,7,9-12,15-23,45H2,1H3,(H2,46,55)(H,49,51)(H,50,54,56)/t32-,33+,34?/m1/s1.

What are the key properties of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide?

5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 885.98 g/mol, XLogP of 2.74, 24 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 159833170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).