1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one

C279H284N50O14 — CID 159029919

IUPAC1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one
SMILES[C-]#[N+]c1ccc2[nH]cc(C(=O)CCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(C(=O)CCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(C(O)CCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(C(O)CCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCCN3CCN(c4ccc(-n5ccc(C)cc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ccc(-n5ccc(C)cc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccc(C)cc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCN3CCN(c4ccc(-n5ccc(C)cc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1
InChIInChI=1S/C30H33N5O.2C29H31N5O.C28H29N5O2.C28H27N5O2.C28H29N5O.C27H27N5O2.C27H25N5O2.C27H27N5O.C26H25N5O/c1-23-13-15-35(30(36)20-23)27-10-8-26(9-11-27)34-18-16-33(17-19-34)14-5-3-4-6-24-22-32-29-12-7-25(31-2)21-28(24)29;1-22-12-14-34(29(35)19-22)26-9-7-25(8-10-26)33-17-15-32(16-18-33)13-4-3-5-23-21-31-28-11-6-24(30-2)20-27(23)28;1-30-24-9-14-28-27(21-24)23(22-31-28)7-3-2-5-15-32-17-19-33(20-18-32)25-10-12-26(13-11-25)34-16-6-4-8-29(34)35;2*1-29-21-7-12-26-24(19-21)25(20-30-26)27(34)5-4-13-31-15-17-32(18-16-31)22-8-10-23(11-9-22)33-14-3-2-6-28(33)35;1-21-11-13-33(28(34)18-21)25-8-6-24(7-9-25)32-16-14-31(15-17-32)12-3-4-22-20-30-27-10-5-23(29-2)19-26(22)27;2*1-28-20-5-10-25-23(18-20)24(19-29-25)26(33)11-13-30-14-16-31(17-15-30)21-6-8-22(9-7-21)32-12-3-2-4-27(32)34;1-20-9-12-32(27(33)17-20)24-6-4-23(5-7-24)31-15-13-30(14-16-31)11-10-21-19-29-26-8-3-22(28-2)18-25(21)26;1-27-21-5-10-25-24(18-21)20(19-28-25)11-13-29-14-16-30(17-15-29)22-6-8-23(9-7-22)31-12-3-2-4-26(31)32/h7-13,15,20-22,32H,3-6,14,16-19H2,1H3;6-12,14,19-21,31H,3-5,13,15-18H2,1H3;4,6,8-14,16,21-22,31H,2-3,5,7,15,17-20H2;2-3,6-12,14,19-20,27,30,34H,4-5,13,15-18H2;2-3,6-12,14,19-20,30H,4-5,13,15-18H2;5-11,13,18-20,30H,3-4,12,14-17H2,1H3;2-10,12,18-19,26,29,33H,11,13-17H2;2-10,12,18-19,29H,11,13-17H2;3-9,12,17-19,29H,10-11,13-16H2,1H3;2-10,12,18-19,28H,11,13-17H2
InChIKeyJUTFEJJGKQFQLQ-UHFFFAOYSA-N
MW4561.68 g/mol
LogP47.69
Rot. Bonds65

About 1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one

1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one (PubChem CID 159029919) has the molecular formula C279H284N50O14 and a molecular weight of 4561.68 g/mol. Its IUPAC name is 1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one
PubChem CID159029919
Molecular FormulaC279H284N50O14
Molecular Weight4561.68 g/mol
Exact Mass4558.30
IUPAC Name1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one
SMILES[C-]#[N+]c1ccc2[nH]cc(C(=O)CCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(C(=O)CCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(C(O)CCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(C(O)CCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCCN3CCN(c4ccc(-n5ccc(C)cc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ccc(-n5ccc(C)cc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccc(C)cc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCN3CCN(c4ccc(-n5ccc(C)cc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1
InChIInChI=1S/C30H33N5O.2C29H31N5O.C28H29N5O2.C28H27N5O2.C28H29N5O.C27H27N5O2.C27H25N5O2.C27H27N5O.C26H25N5O/c1-23-13-15-35(30(36)20-23)27-10-8-26(9-11-27)34-18-16-33(17-19-34)14-5-3-4-6-24-22-32-29-12-7-25(31-2)21-28(24)29;1-22-12-14-34(29(35)19-22)26-9-7-25(8-10-26)33-17-15-32(16-18-33)13-4-3-5-23-21-31-28-11-6-24(30-2)20-27(23)28;1-30-24-9-14-28-27(21-24)23(22-31-28)7-3-2-5-15-32-17-19-33(20-18-32)25-10-12-26(13-11-25)34-16-6-4-8-29(34)35;2*1-29-21-7-12-26-24(19-21)25(20-30-26)27(34)5-4-13-31-15-17-32(18-16-31)22-8-10-23(11-9-22)33-14-3-2-6-28(33)35;1-21-11-13-33(28(34)18-21)25-8-6-24(7-9-25)32-16-14-31(15-17-32)12-3-4-22-20-30-27-10-5-23(29-2)19-26(22)27;2*1-28-20-5-10-25-23(18-20)24(19-29-25)26(33)11-13-30-14-16-31(17-15-30)21-6-8-22(9-7-21)32-12-3-2-4-27(32)34;1-20-9-12-32(27(33)17-20)24-6-4-23(5-7-24)31-15-13-30(14-16-31)11-10-21-19-29-26-8-3-22(28-2)18-25(21)26;1-27-21-5-10-25-24(18-21)20(19-28-25)11-13-29-14-16-30(17-15-29)22-6-8-23(9-7-22)31-12-3-2-4-26(31)32/h7-13,15,20-22,32H,3-6,14,16-19H2,1H3;6-12,14,19-21,31H,3-5,13,15-18H2,1H3;4,6,8-14,16,21-22,31H,2-3,5,7,15,17-20H2;2-3,6-12,14,19-20,27,30,34H,4-5,13,15-18H2;2-3,6-12,14,19-20,30H,4-5,13,15-18H2;5-11,13,18-20,30H,3-4,12,14-17H2,1H3;2-10,12,18-19,26,29,33H,11,13-17H2;2-10,12,18-19,29H,11,13-17H2;3-9,12,17-19,29H,10-11,13-16H2,1H3;2-10,12,18-19,28H,11,13-17H2
InChIKeyJUTFEJJGKQFQLQ-UHFFFAOYSA-N
XLogP47.69
TPSA560.90 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds65
Heavy Atoms343
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004561.68
LogP ≤ 547.69
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Analyze 1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one with MolForge

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Related Compounds

5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 91147509
2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone
CID 157088342
5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]ethanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 157792691
N-(4-acetylphenyl)-2,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide;1-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-[1-[2-(dimethylamino)-2-oxoethyl]pyrrol-3-yl]indole-6-carboxylic acid;1-[2-(dimethylamino)ethyl]-N-(2-fluoro-4-methylphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 158162396
sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 160629858
1-[1-[[4-(4-Acetylpiperazin-1-yl)-2-pyridinyl]methyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-[3-(4-methylpiperazin-1-yl)propanoylamino]-7-propan-2-ylindole-3-carboxylic acid;1-[5-methyl-1-[(4-piperazin-1-yl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone
CID 157542610
tris(2-ethoxy-6-[3-fluoro-4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-1,6-naphthyridin-5-one);bis(6-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-2-methyl-1,6-naphthyridin-5-one)
CID 157563804
ethane;3-ethyl-1-[(2R,3R,4S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]indole;(2R,4R,5R,6R)-2-ethyl-3,4,5,6-tetramethyloxane;1-[(2R,3R,4S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]indole-3-carbaldehyde;1-[1-[(2R,3R,4S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]indol-3-yl]ethanol;1H-indole;1H-indole-3-carbaldehyde
CID 157729216
(3S,6S,9R,12R)-3-butan-2-yl-9-[(6S)-6-hydroxyoctyl]-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;bis((3S,6S,9R,12R)-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone);(3S,6S,9R,12R)-3-butan-2-yl-6-(1H-indol-3-ylmethyl)-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 157991209
(3R)-3-[2-(2-aminophenyl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methylphenyl)-2-oxoethyl]indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one;(3R)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 158110520
ethyl 2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamoylamino]benzoate;ethyl 3-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamoylamino]benzoate;ethyl 2-[[3-[2-[4-[isocyano(phenyl)methylidene]piperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamoylamino]benzoate;methyl 2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamoylamino]benzoate
CID 158194959
N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide;N-butyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;4-formyl-N-propylindole-1-carboxamide;1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 158230529

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one (CID 159029919) is 1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one is [C-]#[N+]c1ccc2[nH]cc(C(=O)CCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(C(=O)CCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(C(O)CCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(C(O)CCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCCN3CCN(c4ccc(-n5ccc(C)cc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCCN3CCN(c4ccc(-n5ccc(C)cc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccc(C)cc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCN3CCN(c4ccc(-n5ccc(C)cc5=O)cc4)CC3)c2c1.[C-]#[N+]c1ccc2[nH]cc(CCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.
What is the InChIKey of 1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one?
The InChIKey is JUTFEJJGKQFQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O.2C29H31N5O.C28H29N5O2.C28H27N5O2.C28H29N5O.C27H27N5O2.C27H25N5O2.C27H27N5O.C26H25N5O/c1-23-13-15-35(30(36)20-23)27-10-8-26(9-11-27)34-18-16-33(17-19-34)14-5-3-4-6-24-22-32-29-12-7-25(31-2)21-28(24)29;1-22-12-14-34(29(35)19-22)26-9-7-25(8-10-26)33-17-15-32(16-18-33)13-4-3-5-23-21-31-28-11-6-24(30-2)20-27(23)28;1-30-24-9-14-28-27(21-24)23(22-31-28)7-3-2-5-15-32-17-19-33(20-18-32)25-10-12-26(13-11-25)34-16-6-4-8-29(34)35;2*1-29-21-7-12-26-24(19-21)25(20-30-26)27(34)5-4-13-31-15-17-32(18-16-31)22-8-10-23(11-9-22)33-14-3-2-6-28(33)35;1-21-11-13-33(28(34)18-21)25-8-6-24(7-9-25)32-16-14-31(15-17-32)12-3-4-22-20-30-27-10-5-23(29-2)19-26(22)27;2*1-28-20-5-10-25-23(18-20)24(19-29-25)26(33)11-13-30-14-16-31(17-15-30)21-6-8-22(9-7-21)32-12-3-2-4-27(32)34;1-20-9-12-32(27(33)17-20)24-6-4-23(5-7-24)31-15-13-30(14-16-31)11-10-21-19-29-26-8-3-22(28-2)18-25(21)26;1-27-21-5-10-25-24(18-21)20(19-28-25)11-13-29-14-16-30(17-15-29)22-6-8-23(9-7-22)31-12-3-2-4-26(31)32/h7-13,15,20-22,32H,3-6,14,16-19H2,1H3;6-12,14,19-21,31H,3-5,13,15-18H2,1H3;4,6,8-14,16,21-22,31H,2-3,5,7,15,17-20H2;2-3,6-12,14,19-20,27,30,34H,4-5,13,15-18H2;2-3,6-12,14,19-20,30H,4-5,13,15-18H2;5-11,13,18-20,30H,3-4,12,14-17H2,1H3;2-10,12,18-19,26,29,33H,11,13-17H2;2-10,12,18-19,29H,11,13-17H2;3-9,12,17-19,29H,10-11,13-16H2,1H3;2-10,12,18-19,28H,11,13-17H2.
What are the key properties of 1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one?
1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one has a molecular weight of 4561.68 g/mol, XLogP of 47.69, 65 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-hydroxy-4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-hydroxy-3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[2-(5-isocyano-1H-indol-3-yl)ethyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[4-(5-isocyano-1H-indol-3-yl)-4-oxobutyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)-3-oxopropyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one;1-[4-[4-[5-(5-isocyano-1H-indol-3-yl)pentyl]piperazin-1-yl]phenyl]pyridin-2-one;1-[4-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]-4-methylpyridin-2-one is sourced from PubChem (CID 159029919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).