2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C155H153Cl5F5N33O11S5 — CID 161022160

IUPAC2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN1CCC(Oc2ccc(-c3cc(Cl)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3CCC5)C4)cc2)CC1.CCN1CCN(c2ccc(-c3cc(F)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3CCC5)C4)cc2Cl)C[C@H]1C.CCN1CCN(c2ccc(-c3cc(F)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3C[C@@H](F)C5)C4)cc2Cl)CC1.C[C@@H]1CN(c2ccc(-c3cc(F)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3CCC5)C4)cc2Cl)CCN1.O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(-c3ccc(N4CCCCC4)c(Cl)c3)cc2C1=O
InChIInChI=1S/C32H33ClFN7O2S.C32H33ClN6O3S.C31H30ClF2N7O2S.C30H29ClFN7O2S.C30H28ClFN6O2S/c1-3-38-10-11-39(16-19(38)2)26-7-6-20(14-24(26)33)21-13-22-23(25(34)15-21)17-41(31(22)43)29(30(42)37-32-35-8-12-44-32)28-27-5-4-9-40(27)18-36-28;1-2-37-13-9-23(10-14-37)42-22-7-5-20(6-8-22)21-16-24-25(26(33)17-21)18-39(31(24)41)29(30(40)36-32-34-11-15-43-32)28-27-4-3-12-38(27)19-35-28;1-2-38-6-8-39(9-7-38)25-4-3-18(12-23(25)32)19-11-21-22(24(34)13-19)16-41(30(21)43)28(29(42)37-31-35-5-10-44-31)27-26-14-20(33)15-40(26)17-36-27;1-17-14-37(9-6-33-17)24-5-4-18(12-22(24)31)19-11-20-21(23(32)13-19)15-39(29(20)41)27(28(40)36-30-34-7-10-42-30)26-25-3-2-8-38(25)16-35-26;31-22-14-18(6-7-24(22)36-9-2-1-3-10-36)19-13-20-21(23(32)15-19)16-38(29(20)40)27(28(39)35-30-33-8-12-41-30)26-25-5-4-11-37(25)17-34-26/h6-8,12-15,18-19,29H,3-5,9-11,16-17H2,1-2H3,(H,35,37,42);5-8,11,15-17,19,23,29H,2-4,9-10,12-14,18H2,1H3,(H,34,36,40);3-5,10-13,17,20,28H,2,6-9,14-16H2,1H3,(H,35,37,42);4-5,7,10-13,16-17,27,33H,2-3,6,8-9,14-15H2,1H3,(H,34,36,40);6-8,12-15,17,27H,1-5,9-11,16H2,(H,33,35,39)/t19-,29?;;20-,28?;17-,27?;/m1.11./s1
InChIKeyTYMZRCFUTYWTSU-PASNLTMNSA-N
MW3086.74 g/mol
LogP27.54
Rot. Bonds34

About 2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 161022160) has the molecular formula C155H153Cl5F5N33O11S5 and a molecular weight of 3086.74 g/mol. Its IUPAC name is 2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID161022160
Molecular FormulaC155H153Cl5F5N33O11S5
Molecular Weight3086.74 g/mol
Exact Mass3081.94
IUPAC Name2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN1CCC(Oc2ccc(-c3cc(Cl)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3CCC5)C4)cc2)CC1.CCN1CCN(c2ccc(-c3cc(F)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3CCC5)C4)cc2Cl)C[C@H]1C.CCN1CCN(c2ccc(-c3cc(F)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3C[C@@H](F)C5)C4)cc2Cl)CC1.C[C@@H]1CN(c2ccc(-c3cc(F)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3CCC5)C4)cc2Cl)CCN1.O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(-c3ccc(N4CCCCC4)c(Cl)c3)cc2C1=O
InChIInChI=1S/C32H33ClFN7O2S.C32H33ClN6O3S.C31H30ClF2N7O2S.C30H29ClFN7O2S.C30H28ClFN6O2S/c1-3-38-10-11-39(16-19(38)2)26-7-6-20(14-24(26)33)21-13-22-23(25(34)15-21)17-41(31(22)43)29(30(42)37-32-35-8-12-44-32)28-27-5-4-9-40(27)18-36-28;1-2-37-13-9-23(10-14-37)42-22-7-5-20(6-8-22)21-16-24-25(26(33)17-21)18-39(31(24)41)29(30(40)36-32-34-11-15-43-32)28-27-4-3-12-38(27)19-35-28;1-2-38-6-8-39(9-7-38)25-4-3-18(12-23(25)32)19-11-21-22(24(34)13-19)16-41(30(21)43)28(29(42)37-31-35-5-10-44-31)27-26-14-20(33)15-40(26)17-36-27;1-17-14-37(9-6-33-17)24-5-4-18(12-22(24)31)19-11-20-21(23(32)13-19)15-39(29(20)41)27(28(40)36-30-34-7-10-42-30)26-25-3-2-8-38(25)16-35-26;31-22-14-18(6-7-24(22)36-9-2-1-3-10-36)19-13-20-21(23(32)15-19)16-38(29(20)40)27(28(39)35-30-33-8-12-41-30)26-25-5-4-11-37(25)17-34-26/h6-8,12-15,18-19,29H,3-5,9-11,16-17H2,1-2H3,(H,35,37,42);5-8,11,15-17,19,23,29H,2-4,9-10,12-14,18H2,1H3,(H,34,36,40);3-5,10-13,17,20,28H,2,6-9,14-16H2,1H3,(H,35,37,42);4-5,7,10-13,16-17,27,33H,2-3,6,8-9,14-15H2,1H3,(H,34,36,40);6-8,12-15,17,27H,1-5,9-11,16H2,(H,33,35,39)/t19-,29?;;20-,28?;17-,27?;/m1.11./s1
InChIKeyTYMZRCFUTYWTSU-PASNLTMNSA-N
XLogP27.54
TPSA444.54 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds34
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003086.74
LogP ≤ 527.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze 2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 161022160) is 2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is CCN1CCC(Oc2ccc(-c3cc(Cl)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3CCC5)C4)cc2)CC1.CCN1CCN(c2ccc(-c3cc(F)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3CCC5)C4)cc2Cl)C[C@H]1C.CCN1CCN(c2ccc(-c3cc(F)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3C[C@@H](F)C5)C4)cc2Cl)CC1.C[C@@H]1CN(c2ccc(-c3cc(F)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3CCC5)C4)cc2Cl)CCN1.O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(-c3ccc(N4CCCCC4)c(Cl)c3)cc2C1=O.
What is the InChIKey of 2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is TYMZRCFUTYWTSU-PASNLTMNSA-N. The full InChI is InChI=1S/C32H33ClFN7O2S.C32H33ClN6O3S.C31H30ClF2N7O2S.C30H29ClFN7O2S.C30H28ClFN6O2S/c1-3-38-10-11-39(16-19(38)2)26-7-6-20(14-24(26)33)21-13-22-23(25(34)15-21)17-41(31(22)43)29(30(42)37-32-35-8-12-44-32)28-27-5-4-9-40(27)18-36-28;1-2-37-13-9-23(10-14-37)42-22-7-5-20(6-8-22)21-16-24-25(26(33)17-21)18-39(31(24)41)29(30(40)36-32-34-11-15-43-32)28-27-4-3-12-38(27)19-35-28;1-2-38-6-8-39(9-7-38)25-4-3-18(12-23(25)32)19-11-21-22(24(34)13-19)16-41(30(21)43)28(29(42)37-31-35-5-10-44-31)27-26-14-20(33)15-40(26)17-36-27;1-17-14-37(9-6-33-17)24-5-4-18(12-22(24)31)19-11-20-21(23(32)13-19)15-39(29(20)41)27(28(40)36-30-34-7-10-42-30)26-25-3-2-8-38(25)16-35-26;31-22-14-18(6-7-24(22)36-9-2-1-3-10-36)19-13-20-21(23(32)15-19)16-38(29(20)40)27(28(39)35-30-33-8-12-41-30)26-25-5-4-11-37(25)17-34-26/h6-8,12-15,18-19,29H,3-5,9-11,16-17H2,1-2H3,(H,35,37,42);5-8,11,15-17,19,23,29H,2-4,9-10,12-14,18H2,1H3,(H,34,36,40);3-5,10-13,17,20,28H,2,6-9,14-16H2,1H3,(H,35,37,42);4-5,7,10-13,16-17,27,33H,2-3,6,8-9,14-15H2,1H3,(H,34,36,40);6-8,12-15,17,27H,1-5,9-11,16H2,(H,33,35,39)/t19-,29?;;20-,28?;17-,27?;/m1.11./s1.
What are the key properties of 2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 3086.74 g/mol, XLogP of 27.54, 34 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-chloro-4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide;2-[7-chloro-5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-[3-chloro-4-[(3R)-3-methylpiperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide;2-[5-(3-chloro-4-piperidin-1-ylphenyl)-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 161022160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).