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

C43H53N9O11 — CID 161205259

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

5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyphenyl]methyl]imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 161205259) has the molecular formula C43H53N9O11 and a molecular weight of 871.95 g/mol. Its IUPAC name is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyphenyl]methyl]imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyphenyl]methyl]imidazo[1,2-c]pyrimidine-8-carboxamide
• PubChem CID: 161205259
• Molecular Formula: C43H53N9O11
• Molecular Weight: 871.95 g/mol
• Exact Mass: 871.39
• IUPAC Name: 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyphenyl]methyl]imidazo[1,2-c]pyrimidine-8-carboxamide
• SMILES: COc1cc(Cc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)cc(OC)c1OCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C43H53N9O11/c1-58-32-23-25(22-30-36(38(45)54)39-47-12-14-51(39)43(49-30)48-28-8-4-3-7-27(28)44)24-33(59-2)37(32)63-21-20-62-19-18-61-17-16-60-15-13-46-29-9-5-6-26-35(29)42(57)52(41(26)56)31-10-11-34(53)50-40(31)55/h5-6,9,12,14,23-24,27-28,31,46H,3-4,7-8,10-11,13,15-22,44H2,1-2H3,(H2,45,54)(H,48,49)(H,50,53,55)/t27-,28+,31?/m1/s1
• InChIKey: UVMWWXRWZIADGO-HDYHSKNASA-N
• XLogP: 2.06
• TPSA: 262.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.95
LogP ≤ 5	2.06
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-[[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyphenyl]methyl]imidazo[1,2-c]pyrimidine-8-carboxamide?

The IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyphenyl]methyl]imidazo[1,2-c]pyrimidine-8-carboxamide (CID 161205259) is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyphenyl]methyl]imidazo[1,2-c]pyrimidine-8-carboxamide.

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

The canonical SMILES for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyphenyl]methyl]imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Cc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)cc(OC)c1OCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

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

The InChIKey is UVMWWXRWZIADGO-HDYHSKNASA-N. The full InChI is InChI=1S/C43H53N9O11/c1-58-32-23-25(22-30-36(38(45)54)39-47-12-14-51(39)43(49-30)48-28-8-4-3-7-27(28)44)24-33(59-2)37(32)63-21-20-62-19-18-61-17-16-60-15-13-46-29-9-5-6-26-35(29)42(57)52(41(26)56)31-10-11-34(53)50-40(31)55/h5-6,9,12,14,23-24,27-28,31,46H,3-4,7-8,10-11,13,15-22,44H2,1-2H3,(H2,45,54)(H,48,49)(H,50,53,55)/t27-,28+,31?/m1/s1.

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

5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyphenyl]methyl]imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 871.95 g/mol, XLogP of 2.06, 22 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-[[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyphenyl]methyl]imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 161205259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).