3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide

C146H164F3N25O12 — CID 161305309

IUPAC3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide
SMILES[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCN(c6cc7c(cc6F)C(=O)N([C@H]6CCC(=C)NC6=O)C7)CC5)CC4)c(F)c3)C2(C)C)c2cccnc12.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCN(c6cc7c(cc6F)C(=O)N([C@H]6CCC(=C)NC6=O)C7)CC5)CC4)nc3)C2(C)C)c2cccnc12.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCN(c6ccc7c(c6)CN([C@H]6CCC(=C)NC6=O)C7=O)CC5)CC4)cc3)C2(C)C)c2cccnc12
InChIInChI=1S/C49H54F2N8O4.C49H56N8O4.C48H54FN9O4/c1-29-9-12-39(44(61)54-29)59-28-32-25-40(36(51)26-34(32)45(59)62)58-22-20-56(21-23-58)27-30-15-18-57(19-16-30)38-13-10-31(24-35(38)50)43(60)55-46-48(2,3)47(49(46,4)5)63-41-14-11-37(52-6)42-33(41)8-7-17-53-42;1-31-9-17-40(44(59)52-31)57-30-34-28-36(14-15-37(34)45(57)60)56-26-24-54(25-27-56)29-32-19-22-55(23-20-32)35-12-10-33(11-13-35)43(58)53-46-48(2,3)47(49(46,4)5)61-41-18-16-39(50-6)42-38(41)8-7-21-51-42;1-29-9-12-37(43(60)53-29)58-28-32-24-38(35(49)25-34(32)44(58)61)56-22-20-55(21-23-56)27-30-15-18-57(19-16-30)40-14-10-31(26-52-40)42(59)54-45-47(2,3)46(48(45,4)5)62-39-13-11-36(50-6)41-33(39)8-7-17-51-41/h7-8,10-11,13-14,17,24-26,30,39,46-47H,1,9,12,15-16,18-23,27-28H2,2-5H3,(H,54,61)(H,55,60);7-8,10-16,18,21,28,32,40,46-47H,1,9,17,19-20,22-27,29-30H2,2-5H3,(H,52,59)(H,53,58);7-8,10-11,13-14,17,24-26,30,37,45-46H,1,9,12,15-16,18-23,27-28H2,2-5H3,(H,53,60)(H,54,59)/t39-,46?,47?;40-,46?,47?;37-,45?,46?/m000/s1
InChIKeyVIDZAQNYQHMXKY-HCINYWAJSA-N
MW2518.07 g/mol
LogP21.37
Rot. Bonds27

About 3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide

3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide (PubChem CID 161305309) has the molecular formula C146H164F3N25O12 and a molecular weight of 2518.07 g/mol. Its IUPAC name is 3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide
PubChem CID161305309
Molecular FormulaC146H164F3N25O12
Molecular Weight2518.07 g/mol
Exact Mass2516.29
IUPAC Name3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide
SMILES[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCN(c6cc7c(cc6F)C(=O)N([C@H]6CCC(=C)NC6=O)C7)CC5)CC4)c(F)c3)C2(C)C)c2cccnc12.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCN(c6cc7c(cc6F)C(=O)N([C@H]6CCC(=C)NC6=O)C7)CC5)CC4)nc3)C2(C)C)c2cccnc12.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCN(c6ccc7c(c6)CN([C@H]6CCC(=C)NC6=O)C7=O)CC5)CC4)cc3)C2(C)C)c2cccnc12
InChIInChI=1S/C49H54F2N8O4.C49H56N8O4.C48H54FN9O4/c1-29-9-12-39(44(61)54-29)59-28-32-25-40(36(51)26-34(32)45(59)62)58-22-20-56(21-23-58)27-30-15-18-57(19-16-30)38-13-10-31(24-35(38)50)43(60)55-46-48(2,3)47(49(46,4)5)63-41-14-11-37(52-6)42-33(41)8-7-17-53-42;1-31-9-17-40(44(59)52-31)57-30-34-28-36(14-15-37(34)45(57)60)56-26-24-54(25-27-56)29-32-19-22-55(23-20-32)35-12-10-33(11-13-35)43(58)53-46-48(2,3)47(49(46,4)5)61-41-18-16-39(50-6)42-38(41)8-7-21-51-42;1-29-9-12-37(43(60)53-29)58-28-32-24-38(35(49)25-34(32)44(58)61)56-22-20-55(21-23-56)27-30-15-18-57(19-16-30)40-14-10-31(26-52-40)42(59)54-45-47(2,3)46(48(45,4)5)62-39-13-11-36(50-6)41-33(39)8-7-17-51-41/h7-8,10-11,13-14,17,24-26,30,39,46-47H,1,9,12,15-16,18-23,27-28H2,2-5H3,(H,54,61)(H,55,60);7-8,10-16,18,21,28,32,40,46-47H,1,9,17,19-20,22-27,29-30H2,2-5H3,(H,52,59)(H,53,58);7-8,10-11,13-14,17,24-26,30,37,45-46H,1,9,12,15-16,18-23,27-28H2,2-5H3,(H,53,60)(H,54,59)/t39-,46?,47?;40-,46?,47?;37-,45?,46?/m000/s1
InChIKeyVIDZAQNYQHMXKY-HCINYWAJSA-N
XLogP21.37
TPSA357.02 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002518.07
LogP ≤ 521.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide?
The IUPAC name of 3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide (CID 161305309) is 3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide?
The canonical SMILES for 3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide is [C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCN(c6cc7c(cc6F)C(=O)N([C@H]6CCC(=C)NC6=O)C7)CC5)CC4)c(F)c3)C2(C)C)c2cccnc12.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCN(c6cc7c(cc6F)C(=O)N([C@H]6CCC(=C)NC6=O)C7)CC5)CC4)nc3)C2(C)C)c2cccnc12.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN5CCN(c6ccc7c(c6)CN([C@H]6CCC(=C)NC6=O)C7=O)CC5)CC4)cc3)C2(C)C)c2cccnc12.
What is the InChIKey of 3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide?
The InChIKey is VIDZAQNYQHMXKY-HCINYWAJSA-N. The full InChI is InChI=1S/C49H54F2N8O4.C49H56N8O4.C48H54FN9O4/c1-29-9-12-39(44(61)54-29)59-28-32-25-40(36(51)26-34(32)45(59)62)58-22-20-56(21-23-58)27-30-15-18-57(19-16-30)38-13-10-31(24-35(38)50)43(60)55-46-48(2,3)47(49(46,4)5)63-41-14-11-37(52-6)42-33(41)8-7-17-53-42;1-31-9-17-40(44(59)52-31)57-30-34-28-36(14-15-37(34)45(57)60)56-26-24-54(25-27-56)29-32-19-22-55(23-20-32)35-12-10-33(11-13-35)43(58)53-46-48(2,3)47(49(46,4)5)61-41-18-16-39(50-6)42-38(41)8-7-21-51-42;1-29-9-12-37(43(60)53-29)58-28-32-24-38(35(49)25-34(32)44(58)61)56-22-20-55(21-23-56)27-30-15-18-57(19-16-30)40-14-10-31(26-52-40)42(59)54-45-47(2,3)46(48(45,4)5)62-39-13-11-36(50-6)41-33(39)8-7-17-51-41/h7-8,10-11,13-14,17,24-26,30,39,46-47H,1,9,12,15-16,18-23,27-28H2,2-5H3,(H,54,61)(H,55,60);7-8,10-16,18,21,28,32,40,46-47H,1,9,17,19-20,22-27,29-30H2,2-5H3,(H,52,59)(H,53,58);7-8,10-11,13-14,17,24-26,30,37,45-46H,1,9,12,15-16,18-23,27-28H2,2-5H3,(H,53,60)(H,54,59)/t39-,46?,47?;40-,46?,47?;37-,45?,46?/m000/s1.
What are the key properties of 3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide?
3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide has a molecular weight of 2518.07 g/mol, XLogP of 21.37, 27 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]benzamide;6-[4-[[4-[6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide is sourced from PubChem (CID 161305309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).