(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one

C190H237N31O15 — CID 159033422

IUPAC(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one
SMILESCCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(C5CCOCC5)c4)cc32)c1C.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCOCC5)CC4)cc32)c1C.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(c5ccccc5)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)Nc3ccc(-c4cnn(-c5ccccn5)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCOCC5)CC4)cc32)c(C)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C34H42N4O2.C33H46N4O3.C32H40N6O2.C31H41N5O3.C31H39N5O3.C29H29N7O2/c1-5-37(6-2)18-10-13-32(39)33-23(3)31(35-24(33)4)22-29-28-21-26(14-15-30(28)36-34(29)40)25-16-19-38(20-17-25)27-11-8-7-9-12-27;1-5-36(6-2)15-7-8-31(38)32-22(3)30(34-23(32)4)21-28-27-20-25(9-10-29(27)35-33(28)39)24-11-16-37(17-12-24)26-13-18-40-19-14-26;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;1-20-28(32-21(2)29(20)31(38)36-14-12-34(3)13-15-36)19-26-25-18-23(4-5-27(25)33-30(26)37)22-6-10-35(11-7-22)24-8-16-39-17-9-24;1-5-35(6-2)13-7-8-29(37)30-20(3)28(33-21(30)4)17-26-25-16-22(9-10-27(25)34-31(26)38)23-18-32-36(19-23)24-11-14-39-15-12-24;1-18-25(32-19(2)27(18)29(38)35-12-10-34(3)11-13-35)15-23-22-14-20(7-8-24(22)33-28(23)37)21-16-31-36(17-21)26-6-4-5-9-30-26/h7-9,11-12,14-15,21-22,25,35H,5-6,10,13,16-20H2,1-4H3,(H,36,40);9-10,20-21,24,26,34H,5-8,11-19H2,1-4H3,(H,35,39);8,10-11,14-15,19-20,23,35H,5-7,9,12-13,16-18H2,1-4H3,(H,36,40);4-5,18-19,22,24,32H,6-17H2,1-3H3,(H,33,37);9-10,16-19,24,33H,5-8,11-15H2,1-4H3,(H,34,38);4-9,14-17,32H,10-13H2,1-3H3,(H,33,37)/b29-22-;28-21-;26-20-;26-19-;26-17-;23-15-
InChIKeyJVDYZFHUTILVMG-ZEGCAWTPSA-N
MW3195.19 g/mol
LogP31.48
Rot. Bonds48

About (3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one

(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one (PubChem CID 159033422) has the molecular formula C190H237N31O15 and a molecular weight of 3195.19 g/mol. Its IUPAC name is (3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one
PubChem CID159033422
Molecular FormulaC190H237N31O15
Molecular Weight3195.19 g/mol
Exact Mass3192.87
IUPAC Name(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one
SMILESCCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(C5CCOCC5)c4)cc32)c1C.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCOCC5)CC4)cc32)c1C.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(c5ccccc5)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)Nc3ccc(-c4cnn(-c5ccccn5)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCOCC5)CC4)cc32)c(C)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C34H42N4O2.C33H46N4O3.C32H40N6O2.C31H41N5O3.C31H39N5O3.C29H29N7O2/c1-5-37(6-2)18-10-13-32(39)33-23(3)31(35-24(33)4)22-29-28-21-26(14-15-30(28)36-34(29)40)25-16-19-38(20-17-25)27-11-8-7-9-12-27;1-5-36(6-2)15-7-8-31(38)32-22(3)30(34-23(32)4)21-28-27-20-25(9-10-29(27)35-33(28)39)24-11-16-37(17-12-24)26-13-18-40-19-14-26;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;1-20-28(32-21(2)29(20)31(38)36-14-12-34(3)13-15-36)19-26-25-18-23(4-5-27(25)33-30(26)37)22-6-10-35(11-7-22)24-8-16-39-17-9-24;1-5-35(6-2)13-7-8-29(37)30-20(3)28(33-21(30)4)17-26-25-16-22(9-10-27(25)34-31(26)38)23-18-32-36(19-23)24-11-14-39-15-12-24;1-18-25(32-19(2)27(18)29(38)35-12-10-34(3)11-13-35)15-23-22-14-20(7-8-24(22)33-28(23)37)21-16-31-36(17-21)26-6-4-5-9-30-26/h7-9,11-12,14-15,21-22,25,35H,5-6,10,13,16-20H2,1-4H3,(H,36,40);9-10,20-21,24,26,34H,5-8,11-19H2,1-4H3,(H,35,39);8,10-11,14-15,19-20,23,35H,5-7,9,12-13,16-18H2,1-4H3,(H,36,40);4-5,18-19,22,24,32H,6-17H2,1-3H3,(H,33,37);9-10,16-19,24,33H,5-8,11-15H2,1-4H3,(H,34,38);4-9,14-17,32H,10-13H2,1-3H3,(H,33,37)/b29-22-;28-21-;26-20-;26-19-;26-17-;23-15-
InChIKeyJVDYZFHUTILVMG-ZEGCAWTPSA-N
XLogP31.48
TPSA512.64 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds48
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003195.19
LogP ≤ 531.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze (3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one with MolForge

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Related Compounds

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CID 132181733
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157080153
N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 157141744
5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethoxyethane
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N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157192480
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
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5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(5-fluoro-3-pyridinyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
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N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-phenyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157404544
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157458865
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157470632
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;methane;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157478101

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one (CID 159033422) is (3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one is CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(C5CCOCC5)c4)cc32)c1C.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCOCC5)CC4)cc32)c1C.CCN(CC)CCCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(c5ccccc5)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)Nc3ccc(-c4cnn(-c5ccccn5)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(C5CCOCC5)CC4)cc32)c(C)c1C(=O)N1CCN(C)CC1.
What is the InChIKey of (3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one?
The InChIKey is JVDYZFHUTILVMG-ZEGCAWTPSA-N. The full InChI is InChI=1S/C34H42N4O2.C33H46N4O3.C32H40N6O2.C31H41N5O3.C31H39N5O3.C29H29N7O2/c1-5-37(6-2)18-10-13-32(39)33-23(3)31(35-24(33)4)22-29-28-21-26(14-15-30(28)36-34(29)40)25-16-19-38(20-17-25)27-11-8-7-9-12-27;1-5-36(6-2)15-7-8-31(38)32-22(3)30(34-23(32)4)21-28-27-20-25(9-10-29(27)35-33(28)39)24-11-16-37(17-12-24)26-13-18-40-19-14-26;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;1-20-28(32-21(2)29(20)31(38)36-14-12-34(3)13-15-36)19-26-25-18-23(4-5-27(25)33-30(26)37)22-6-10-35(11-7-22)24-8-16-39-17-9-24;1-5-35(6-2)13-7-8-29(37)30-20(3)28(33-21(30)4)17-26-25-16-22(9-10-27(25)34-31(26)38)23-18-32-36(19-23)24-11-14-39-15-12-24;1-18-25(32-19(2)27(18)29(38)35-12-10-34(3)11-13-35)15-23-22-14-20(7-8-24(22)33-28(23)37)21-16-31-36(17-21)26-6-4-5-9-30-26/h7-9,11-12,14-15,21-22,25,35H,5-6,10,13,16-20H2,1-4H3,(H,36,40);9-10,20-21,24,26,34H,5-8,11-19H2,1-4H3,(H,35,39);8,10-11,14-15,19-20,23,35H,5-7,9,12-13,16-18H2,1-4H3,(H,36,40);4-5,18-19,22,24,32H,6-17H2,1-3H3,(H,33,37);9-10,16-19,24,33H,5-8,11-15H2,1-4H3,(H,34,38);4-9,14-17,32H,10-13H2,1-3H3,(H,33,37)/b29-22-;28-21-;26-20-;26-19-;26-17-;23-15-.
What are the key properties of (3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one?
(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one has a molecular weight of 3195.19 g/mol, XLogP of 31.48, 48 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-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]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one is sourced from PubChem (CID 159033422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).