(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one

C162H196N26O12S2 — CID 158734518

IUPAC(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one
SMILESCC(=O)N1CCC(N2CCC(c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)N5CCN(C)CC5)c3C)C(=O)N4)CC2)CC1.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3c2cccc3-c2csc(-c3ccccc3)n2)c1C.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCN(C(C)=O)CC5)CC4)cc32)c1C.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(c5ncccn5)CC4)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3c2cccc3-c2csc(-c3ccccc3)n2)c(C)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C35H49N5O3.C33H44N6O3.C32H40N6O2.C32H34N4O2S.C30H29N5O2S/c1-6-38(7-2)16-8-9-33(42)34-23(3)32(36-24(34)4)22-30-29-21-27(10-11-31(29)37-35(30)43)26-12-17-40(18-13-26)28-14-19-39(20-15-28)25(5)41;1-21-30(34-22(2)31(21)33(42)39-17-15-36(4)16-18-39)20-28-27-19-25(5-6-29(27)35-32(28)41)24-7-11-38(12-8-24)26-9-13-37(14-10-26)23(3)40;1-5-37(6-2)16-7-9-29(39)30-21(3)28(35-22(30)4)20-26-25-19-24(10-11-27(25)36-31(26)40)23-12-17-38(18-13-23)32-33-14-8-15-34-32;1-5-36(6-2)17-11-16-28(37)29-20(3)26(33-21(29)4)18-25-23-14-10-15-24(30(23)35-31(25)38)27-19-39-32(34-27)22-12-8-7-9-13-22;1-18-24(31-19(2)26(18)30(37)35-14-12-34(3)13-15-35)16-23-21-10-7-11-22(27(21)33-28(23)36)25-17-38-29(32-25)20-8-5-4-6-9-20/h10-11,21-22,26,28,36H,6-9,12-20H2,1-5H3,(H,37,43);5-6,19-20,24,26,34H,7-18H2,1-4H3,(H,35,41);8,10-11,14-15,19-20,23,35H,5-7,9,12-13,16-18H2,1-4H3,(H,36,40);7-10,12-15,18-19,33H,5-6,11,16-17H2,1-4H3,(H,35,38);4-11,16-17,31H,12-15H2,1-3H3,(H,33,36)/b30-22-;28-20-;26-20-;25-18-;23-16-
InChIKeyILMXXEZLCDPMQV-QGSMFICTSA-N
MW2763.65 g/mol
LogP27.45
Rot. Bonds38

About (3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one

(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one (PubChem CID 158734518) has the molecular formula C162H196N26O12S2 and a molecular weight of 2763.65 g/mol. Its IUPAC name is (3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one
PubChem CID158734518
Molecular FormulaC162H196N26O12S2
Molecular Weight2763.65 g/mol
Exact Mass2761.50
IUPAC Name(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one
SMILESCC(=O)N1CCC(N2CCC(c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)N5CCN(C)CC5)c3C)C(=O)N4)CC2)CC1.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3c2cccc3-c2csc(-c3ccccc3)n2)c1C.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCN(C(C)=O)CC5)CC4)cc32)c1C.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(c5ncccn5)CC4)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3c2cccc3-c2csc(-c3ccccc3)n2)c(C)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C35H49N5O3.C33H44N6O3.C32H40N6O2.C32H34N4O2S.C30H29N5O2S/c1-6-38(7-2)16-8-9-33(42)34-23(3)32(36-24(34)4)22-30-29-21-27(10-11-31(29)37-35(30)43)26-12-17-40(18-13-26)28-14-19-39(20-15-28)25(5)41;1-21-30(34-22(2)31(21)33(42)39-17-15-36(4)16-18-39)20-28-27-19-25(5-6-29(27)35-32(28)41)24-7-11-38(12-8-24)26-9-13-37(14-10-26)23(3)40;1-5-37(6-2)16-7-9-29(39)30-21(3)28(35-22(30)4)20-26-25-19-24(10-11-27(25)36-31(26)40)23-12-17-38(18-13-23)32-33-14-8-15-34-32;1-5-36(6-2)17-11-16-28(37)29-20(3)26(33-21(29)4)18-25-23-14-10-15-24(30(23)35-31(25)38)27-19-39-32(34-27)22-12-8-7-9-13-22;1-18-24(31-19(2)26(18)30(37)35-14-12-34(3)13-15-35)16-23-21-10-7-11-22(27(21)33-28(23)36)25-17-38-29(32-25)20-8-5-4-6-9-20/h10-11,21-22,26,28,36H,6-9,12-20H2,1-5H3,(H,37,43);5-6,19-20,24,26,34H,7-18H2,1-4H3,(H,35,41);8,10-11,14-15,19-20,23,35H,5-7,9,12-13,16-18H2,1-4H3,(H,36,40);7-10,12-15,18-19,33H,5-6,11,16-17H2,1-4H3,(H,35,38);4-11,16-17,31H,12-15H2,1-3H3,(H,33,36)/b30-22-;28-20-;26-20-;25-18-;23-16-
InChIKeyILMXXEZLCDPMQV-QGSMFICTSA-N
XLogP27.45
TPSA434.38 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds38
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002763.65
LogP ≤ 527.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one?
The IUPAC name of (3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one (CID 158734518) is (3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one is CC(=O)N1CCC(N2CCC(c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)N5CCN(C)CC5)c3C)C(=O)N4)CC2)CC1.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3c2cccc3-c2csc(-c3ccccc3)n2)c1C.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCN(C(C)=O)CC5)CC4)cc32)c1C.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(c5ncccn5)CC4)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3c2cccc3-c2csc(-c3ccccc3)n2)c(C)c1C(=O)N1CCN(C)CC1.
What is the InChIKey of (3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one?
The InChIKey is ILMXXEZLCDPMQV-QGSMFICTSA-N. The full InChI is InChI=1S/C35H49N5O3.C33H44N6O3.C32H40N6O2.C32H34N4O2S.C30H29N5O2S/c1-6-38(7-2)16-8-9-33(42)34-23(3)32(36-24(34)4)22-30-29-21-27(10-11-31(29)37-35(30)43)26-12-17-40(18-13-26)28-14-19-39(20-15-28)25(5)41;1-21-30(34-22(2)31(21)33(42)39-17-15-36(4)16-18-39)20-28-27-19-25(5-6-29(27)35-32(28)41)24-7-11-38(12-8-24)26-9-13-37(14-10-26)23(3)40;1-5-37(6-2)16-7-9-29(39)30-21(3)28(35-22(30)4)20-26-25-19-24(10-11-27(25)36-31(26)40)23-12-17-38(18-13-23)32-33-14-8-15-34-32;1-5-36(6-2)17-11-16-28(37)29-20(3)26(33-21(29)4)18-25-23-14-10-15-24(30(23)35-31(25)38)27-19-39-32(34-27)22-12-8-7-9-13-22;1-18-24(31-19(2)26(18)30(37)35-14-12-34(3)13-15-35)16-23-21-10-7-11-22(27(21)33-28(23)36)25-17-38-29(32-25)20-8-5-4-6-9-20/h10-11,21-22,26,28,36H,6-9,12-20H2,1-5H3,(H,37,43);5-6,19-20,24,26,34H,7-18H2,1-4H3,(H,35,41);8,10-11,14-15,19-20,23,35H,5-7,9,12-13,16-18H2,1-4H3,(H,36,40);7-10,12-15,18-19,33H,5-6,11,16-17H2,1-4H3,(H,35,38);4-11,16-17,31H,12-15H2,1-3H3,(H,33,36)/b30-22-;28-20-;26-20-;25-18-;23-16-.
What are the key properties of (3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one?
(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one has a molecular weight of 2763.65 g/mol, XLogP of 27.45, 38 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one is sourced from PubChem (CID 158734518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).