1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile

C160H158F2N24O16 — CID 167642109

IUPAC1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(-c2c(C)noc2C)cc1N(C[C@H]1C[C@@H]1CNc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(C2(C#N)CC2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C[C@H]1C[C@@H]1CNc1cc2c(cc1F)CN(C1CCC(=O)NC1=O)C2=O)c1ccc(C2(C#N)CC2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C[C@H]1C[C@@H]1CNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(C2(C#N)CC2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C[C@H]1C[C@@H]1CNc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O)c1ccc(C2(C#N)CC2)cc1
InChIInChI=1S/2C40H39FN6O4.2C40H40N6O4/c1-22-4-5-25(37-23(2)45-51-24(37)3)16-35(22)46(30-8-6-29(7-9-30)40(21-42)12-13-40)19-27-14-26(27)18-43-33-15-28-20-47(39(50)31(28)17-32(33)41)34-10-11-36(48)44-38(34)49;1-22-4-5-25(37-23(2)45-51-24(37)3)16-35(22)46(30-8-6-29(7-9-30)40(21-42)12-13-40)19-27-14-26(27)18-43-33-17-31-28(15-32(33)41)20-47(39(31)50)34-10-11-36(48)44-38(34)49;1-23-4-5-26(37-24(2)44-50-25(37)3)18-35(23)45(32-9-6-30(7-10-32)40(22-41)14-15-40)20-28-16-27(28)19-42-31-8-11-33-29(17-31)21-46(39(33)49)34-12-13-36(47)43-38(34)48;1-23-4-5-26(37-24(2)44-50-25(37)3)17-35(23)45(32-10-7-30(8-11-32)40(22-41)14-15-40)21-29-16-28(29)19-42-31-9-6-27-20-46(39(49)33(27)18-31)34-12-13-36(47)43-38(34)48/h2*4-9,15-17,26-27,34,43H,10-14,18-20H2,1-3H3,(H,44,48,49);4-11,17-18,27-28,34,42H,12-16,19-21H2,1-3H3,(H,43,47,48);4-11,17-18,28-29,34,42H,12-16,19-21H2,1-3H3,(H,43,47,48)/t2*26-,27-,34?;27-,28-,34?;28-,29-,34?/m1111/s1
InChIKeyPHSLTWALIIJJAH-CVRJETQKSA-N
MW2711.17 g/mol
LogP26.16
Rot. Bonds40

About 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile

1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile (PubChem CID 167642109) has the molecular formula C160H158F2N24O16 and a molecular weight of 2711.17 g/mol. Its IUPAC name is 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile
PubChem CID167642109
Molecular FormulaC160H158F2N24O16
Molecular Weight2711.17 g/mol
Exact Mass2709.23
IUPAC Name1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(-c2c(C)noc2C)cc1N(C[C@H]1C[C@@H]1CNc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(C2(C#N)CC2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C[C@H]1C[C@@H]1CNc1cc2c(cc1F)CN(C1CCC(=O)NC1=O)C2=O)c1ccc(C2(C#N)CC2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C[C@H]1C[C@@H]1CNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(C2(C#N)CC2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C[C@H]1C[C@@H]1CNc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O)c1ccc(C2(C#N)CC2)cc1
InChIInChI=1S/2C40H39FN6O4.2C40H40N6O4/c1-22-4-5-25(37-23(2)45-51-24(37)3)16-35(22)46(30-8-6-29(7-9-30)40(21-42)12-13-40)19-27-14-26(27)18-43-33-15-28-20-47(39(50)31(28)17-32(33)41)34-10-11-36(48)44-38(34)49;1-22-4-5-25(37-23(2)45-51-24(37)3)16-35(22)46(30-8-6-29(7-9-30)40(21-42)12-13-40)19-27-14-26(27)18-43-33-17-31-28(15-32(33)41)20-47(39(31)50)34-10-11-36(48)44-38(34)49;1-23-4-5-26(37-24(2)44-50-25(37)3)18-35(23)45(32-9-6-30(7-10-32)40(22-41)14-15-40)20-28-16-27(28)19-42-31-8-11-33-29(17-31)21-46(39(33)49)34-12-13-36(47)43-38(34)48;1-23-4-5-26(37-24(2)44-50-25(37)3)17-35(23)45(32-10-7-30(8-11-32)40(22-41)14-15-40)21-29-16-28(29)19-42-31-9-6-27-20-46(39(49)33(27)18-31)34-12-13-36(47)43-38(34)48/h2*4-9,15-17,26-27,34,43H,10-14,18-20H2,1-3H3,(H,44,48,49);4-11,17-18,27-28,34,42H,12-16,19-21H2,1-3H3,(H,43,47,48);4-11,17-18,28-29,34,42H,12-16,19-21H2,1-3H3,(H,43,47,48)/t2*26-,27-,34?;27-,28-,34?;28-,29-,34?/m1111/s1
InChIKeyPHSLTWALIIJJAH-CVRJETQKSA-N
XLogP26.16
TPSA526.28 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002711.17
LogP ≤ 526.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile (CID 167642109) is 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile is Cc1ccc(-c2c(C)noc2C)cc1N(C[C@H]1C[C@@H]1CNc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(C2(C#N)CC2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C[C@H]1C[C@@H]1CNc1cc2c(cc1F)CN(C1CCC(=O)NC1=O)C2=O)c1ccc(C2(C#N)CC2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C[C@H]1C[C@@H]1CNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1ccc(C2(C#N)CC2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C[C@H]1C[C@@H]1CNc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O)c1ccc(C2(C#N)CC2)cc1.
What is the InChIKey of 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is PHSLTWALIIJJAH-CVRJETQKSA-N. The full InChI is InChI=1S/2C40H39FN6O4.2C40H40N6O4/c1-22-4-5-25(37-23(2)45-51-24(37)3)16-35(22)46(30-8-6-29(7-9-30)40(21-42)12-13-40)19-27-14-26(27)18-43-33-15-28-20-47(39(50)31(28)17-32(33)41)34-10-11-36(48)44-38(34)49;1-22-4-5-25(37-23(2)45-51-24(37)3)16-35(22)46(30-8-6-29(7-9-30)40(21-42)12-13-40)19-27-14-26(27)18-43-33-17-31-28(15-32(33)41)20-47(39(31)50)34-10-11-36(48)44-38(34)49;1-23-4-5-26(37-24(2)44-50-25(37)3)18-35(23)45(32-9-6-30(7-10-32)40(22-41)14-15-40)20-28-16-27(28)19-42-31-8-11-33-29(17-31)21-46(39(33)49)34-12-13-36(47)43-38(34)48;1-23-4-5-26(37-24(2)44-50-25(37)3)17-35(23)45(32-10-7-30(8-11-32)40(22-41)14-15-40)21-29-16-28(29)19-42-31-9-6-27-20-46(39(49)33(27)18-31)34-12-13-36(47)43-38(34)48/h2*4-9,15-17,26-27,34,43H,10-14,18-20H2,1-3H3,(H,44,48,49);4-11,17-18,27-28,34,42H,12-16,19-21H2,1-3H3,(H,43,47,48);4-11,17-18,28-29,34,42H,12-16,19-21H2,1-3H3,(H,43,47,48)/t2*26-,27-,34?;27-,28-,34?;28-,29-,34?/m1111/s1.
What are the key properties of 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile?
1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 2711.17 g/mol, XLogP of 26.16, 40 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile;1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1S,2S)-2-[[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]methyl]cyclopropyl]methyl]-2-methylanilino]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 167642109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).