cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid

C44H43F3N10O10 — CID 138694055

About cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid

cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid (PubChem CID 138694055) has the molecular formula C44H43F3N10O10 and a molecular weight of 928.88 g/mol. Its IUPAC name is cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

• Compound Name: cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid
• PubChem CID: 138694055
• Molecular Formula: C44H43F3N10O10
• Molecular Weight: 928.88 g/mol
• Exact Mass: 928.31
• IUPAC Name: cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCNCc4ccc(-n5cc(NC(=O)c6coc(-c7ccnc(N(CC8CC8)C(=O)O)c7)n6)c(C(F)(F)F)n5)cc4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C44H43F3N10O10/c45-44(46,47)37-31(51-38(59)32-24-67-40(52-32)27-12-13-50-34(20-27)55(43(63)64)22-26-4-5-26)23-56(54-37)28-8-6-25(7-9-28)21-48-14-16-65-18-19-66-17-15-49-30-3-1-2-29-36(30)42(62)57(41(29)61)33-10-11-35(58)53-39(33)60/h1-3,6-9,12-13,20,23-24,26,33,48-49H,4-5,10-11,14-19,21-22H2,(H,51,59)(H,63,64)(H,53,58,60)
• InChIKey: GHRRJVZURLJJQR-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 252.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.88
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

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 cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid?

The IUPAC name of cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid (CID 138694055) is cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid.

What is the SMILES notation for cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid?

The canonical SMILES for cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid is O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCNCc4ccc(-n5cc(NC(=O)c6coc(-c7ccnc(N(CC8CC8)C(=O)O)c7)n6)c(C(F)(F)F)n5)cc4)c3C2=O)C(=O)N1.

What is the InChIKey of cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid?

The InChIKey is GHRRJVZURLJJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43F3N10O10/c45-44(46,47)37-31(51-38(59)32-24-67-40(52-32)27-12-13-50-34(20-27)55(43(63)64)22-26-4-5-26)23-56(54-37)28-8-6-25(7-9-28)21-48-14-16-65-18-19-66-17-15-49-30-3-1-2-29-36(30)42(62)57(41(29)61)33-10-11-35(58)53-39(33)60/h1-3,6-9,12-13,20,23-24,26,33,48-49H,4-5,10-11,14-19,21-22H2,(H,51,59)(H,63,64)(H,53,58,60).

What are the key properties of cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid?

cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid has a molecular weight of 928.88 g/mol, XLogP of 4.72, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl-[4-[4-[[1-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]methyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 138694055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).