[1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid

C145H204N22O12 — CID 159405690

IUPAC[1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCC(N2CC(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc32)CC1.CC(C)(C)OC(=O)NC1CCC(n2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc32)CC1.NC1CCC(n2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc32)CC1.O=C(C1CNc2ccccc21)N1CCN(C2CCCCC2)CC1.O=C(NCc1cccnc1)NC1CCC(n2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc32)CC1.O=C(O)C1CNc2ccccc21
InChIInChI=1S/C32H42N6O2.C30H46N4O3.C30H44N4O3.C25H36N4O.C19H27N3O.C9H9NO2/c39-31(37-19-17-36(18-20-37)26-8-2-1-3-9-26)29-23-38(30-11-5-4-10-28(29)30)27-14-12-25(13-15-27)35-32(40)34-22-24-7-6-16-33-21-24;2*1-30(2,3)37-29(36)31-22-13-15-24(16-14-22)34-21-26(25-11-7-8-12-27(25)34)28(35)33-19-17-32(18-20-33)23-9-5-4-6-10-23;26-19-10-12-21(13-11-19)29-18-23(22-8-4-5-9-24(22)29)25(30)28-16-14-27(15-17-28)20-6-2-1-3-7-20;23-19(17-14-20-18-9-5-4-8-16(17)18)22-12-10-21(11-13-22)15-6-2-1-3-7-15;11-9(12)7-5-10-8-4-2-1-3-6(7)8/h4-7,10-11,16,21,23,25-27H,1-3,8-9,12-15,17-20,22H2,(H2,34,35,40);7-8,11-12,22-24,26H,4-6,9-10,13-21H2,1-3H3,(H,31,36);7-8,11-12,21-24H,4-6,9-10,13-20H2,1-3H3,(H,31,36);4-5,8-9,18-21H,1-3,6-7,10-17,26H2;4-5,8-9,15,17,20H,1-3,6-7,10-14H2;1-4,7,10H,5H2,(H,11,12)
InChIKeyLNXOYMFUWPCTHI-UHFFFAOYSA-N
MW2447.37 g/mol
LogP23.88
Rot. Bonds20

About [1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid

[1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid (PubChem CID 159405690) has the molecular formula C145H204N22O12 and a molecular weight of 2447.37 g/mol. Its IUPAC name is [1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name[1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid
PubChem CID159405690
Molecular FormulaC145H204N22O12
Molecular Weight2447.37 g/mol
Exact Mass2445.60
IUPAC Name[1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCC(N2CC(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc32)CC1.CC(C)(C)OC(=O)NC1CCC(n2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc32)CC1.NC1CCC(n2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc32)CC1.O=C(C1CNc2ccccc21)N1CCN(C2CCCCC2)CC1.O=C(NCc1cccnc1)NC1CCC(n2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc32)CC1.O=C(O)C1CNc2ccccc21
InChIInChI=1S/C32H42N6O2.C30H46N4O3.C30H44N4O3.C25H36N4O.C19H27N3O.C9H9NO2/c39-31(37-19-17-36(18-20-37)26-8-2-1-3-9-26)29-23-38(30-11-5-4-10-28(29)30)27-14-12-25(13-15-27)35-32(40)34-22-24-7-6-16-33-21-24;2*1-30(2,3)37-29(36)31-22-13-15-24(16-14-22)34-21-26(25-11-7-8-12-27(25)34)28(35)33-19-17-32(18-20-33)23-9-5-4-6-10-23;26-19-10-12-21(13-11-19)29-18-23(22-8-4-5-9-24(22)29)25(30)28-16-14-27(15-17-28)20-6-2-1-3-7-20;23-19(17-14-20-18-9-5-4-8-16(17)18)22-12-10-21(11-13-22)15-6-2-1-3-7-15;11-9(12)7-5-10-8-4-2-1-3-6(7)8/h4-7,10-11,16,21,23,25-27H,1-3,8-9,12-15,17-20,22H2,(H2,34,35,40);7-8,11-12,22-24,26H,4-6,9-10,13-21H2,1-3H3,(H,31,36);7-8,11-12,21-24H,4-6,9-10,13-20H2,1-3H3,(H,31,36);4-5,8-9,18-21H,1-3,6-7,10-17,26H2;4-5,8-9,15,17,20H,1-3,6-7,10-14H2;1-4,7,10H,5H2,(H,11,12)
InChIKeyLNXOYMFUWPCTHI-UHFFFAOYSA-N
XLogP23.88
TPSA353.84 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002447.37
LogP ≤ 523.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze [1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

CID 158619755
CID 158619755
N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 157087499
2-acetamido-9-[(2S)-2-aminopropyl]pyrido[2,3-b]indole-3-carboxamide;2-(2-aminoethylamino)-9-ethylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-phenylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-pyridin-3-ylpyrido[2,3-b]indole-3-carboxamide;methyl N-[2-[(3-carbamoyl-9-ethylpyrido[2,3-b]indol-2-yl)amino]ethyl]carbamate
CID 157507641
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
tert-butyl N-(5-bromopentyl)carbamate;tert-butyl N-[5-(3-ethylindol-1-yl)pentyl]carbamate;tert-butyl N-(5-hydroxypentyl)carbamate;pentakis(carbon dioxide);1-[5-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]pentyl]-3-(pyridin-3-ylmethyl)urea;3-ethyl-1H-indole;5-(3-ethylindol-1-yl)pentan-1-amine;1-[5-(3-ethylindol-1-yl)pentyl]-3-(pyridin-3-ylmethyl)urea;1-(5-indol-1-ylpentyl)-3-(pyridin-3-ylmethyl)urea
CID 157622687
tris((3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxoheptyl)-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-oxononyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;5-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]pentanoic acid
CID 157664188
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;1-[1-[2-(4-fluorophenyl)piperidin-4-yl]ethyl]-2-methylindole-3-carboxylic acid;1-[1-[1-[2-(4-fluorophenyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]ethanone;3-[3-[1-[1-[2-(4-fluorophenyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-[1-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylindol-3-yl]ethanone
CID 157734893
4-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamoylamino]butanoic acid;6-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamoylamino]hexanoic acid;4-[[3-[2-[4-[isocyano(phenyl)methylidene]piperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamoylamino]butanoic acid;3-[[3-[2-[4-[isocyano(phenyl)methylidene]piperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]carbamoylamino]propanoic acid
CID 157776161
Tert-butyl 2-[4-[3-[[4-(3-carbamoylindol-1-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate;1-[5-fluoro-2-(3-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;bis(1-[5-fluoro-2-[3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide);1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 157906054
(3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine
CID 158129615
4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;tert-butyl 5-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;4-[(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;N-methyl-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;N-methyl-4-(1,2,3,4-tetrahydropyrido[4,3-b]indol-5-ylmethyl)benzamide
CID 158559246
1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 158786547

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid?
The IUPAC name of [1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid (CID 159405690) is [1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid.
What is the SMILES notation for [1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid?
The canonical SMILES for [1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid is CC(C)(C)OC(=O)NC1CCC(N2CC(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc32)CC1.CC(C)(C)OC(=O)NC1CCC(n2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc32)CC1.NC1CCC(n2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc32)CC1.O=C(C1CNc2ccccc21)N1CCN(C2CCCCC2)CC1.O=C(NCc1cccnc1)NC1CCC(n2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc32)CC1.O=C(O)C1CNc2ccccc21.
What is the InChIKey of [1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid?
The InChIKey is LNXOYMFUWPCTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O2.C30H46N4O3.C30H44N4O3.C25H36N4O.C19H27N3O.C9H9NO2/c39-31(37-19-17-36(18-20-37)26-8-2-1-3-9-26)29-23-38(30-11-5-4-10-28(29)30)27-14-12-25(13-15-27)35-32(40)34-22-24-7-6-16-33-21-24;2*1-30(2,3)37-29(36)31-22-13-15-24(16-14-22)34-21-26(25-11-7-8-12-27(25)34)28(35)33-19-17-32(18-20-33)23-9-5-4-6-10-23;26-19-10-12-21(13-11-19)29-18-23(22-8-4-5-9-24(22)29)25(30)28-16-14-27(15-17-28)20-6-2-1-3-7-20;23-19(17-14-20-18-9-5-4-8-16(17)18)22-12-10-21(11-13-22)15-6-2-1-3-7-15;11-9(12)7-5-10-8-4-2-1-3-6(7)8/h4-7,10-11,16,21,23,25-27H,1-3,8-9,12-15,17-20,22H2,(H2,34,35,40);7-8,11-12,22-24,26H,4-6,9-10,13-21H2,1-3H3,(H,31,36);7-8,11-12,21-24H,4-6,9-10,13-20H2,1-3H3,(H,31,36);4-5,8-9,18-21H,1-3,6-7,10-17,26H2;4-5,8-9,15,17,20H,1-3,6-7,10-14H2;1-4,7,10H,5H2,(H,11,12).
What are the key properties of [1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid?
[1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid has a molecular weight of 2447.37 g/mol, XLogP of 23.88, 20 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminocyclohexyl)indol-3-yl]-(4-cyclohexylpiperazin-1-yl)methanone;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]cyclohexyl]carbamate;tert-butyl N-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]carbamate;1-[4-[3-(4-cyclohexylpiperazine-1-carbonyl)indol-1-yl]cyclohexyl]-3-(pyridin-3-ylmethyl)urea;(4-cyclohexylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone;2,3-dihydro-1H-indole-3-carboxylic acid is sourced from PubChem (CID 159405690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).