5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine

C109H137F4N19O — CID 164951301

IUPAC5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine
SMILESCC(C)C1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(C2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(OC(F)(F)F)ccc5[nH]4)c3)CC2)CC1.Cc1ccc(N2CCC(NCCc3ncnn3C)CC2)cc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C29H38F3N5O.C29H36N4.C26H33FN4.C25H30N6/c1-21(2)36-16-14-35(15-17-36)13-10-33-24-8-11-37(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(38-29(30,31)32)6-7-27(23)34-28;1-20(2)22-7-9-25(10-8-22)31-26-12-14-33(15-13-26)27-5-3-4-23(17-27)29-18-24-16-21(19-30)6-11-28(24)32-29;1-19(2)29-12-14-31(15-13-29)23-8-10-30(11-9-23)24-5-3-4-20(17-24)26-18-21-16-22(27)6-7-25(21)28-26;1-18-7-8-21(16-22(18)24-15-19-5-3-4-6-23(19)29-24)31-13-10-20(11-14-31)26-12-9-25-27-17-28-30(25)2/h3-7,18-21,24,33-34H,8-17H2,1-2H3;3-6,11,16-18,20,22,25-26,31-32H,7-10,12-15H2,1-2H3;3-7,16-19,23,28H,8-15H2,1-2H3;3-8,15-17,20,26,29H,9-14H2,1-2H3
InChIKeyAOLIFSZHQQKCLY-UHFFFAOYSA-N
MW1805.42 g/mol
LogP20.84
Rot. Bonds23

About 5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine

5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine (PubChem CID 164951301) has the molecular formula C109H137F4N19O and a molecular weight of 1805.42 g/mol. Its IUPAC name is 5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine
PubChem CID164951301
Molecular FormulaC109H137F4N19O
Molecular Weight1805.42 g/mol
Exact Mass1804.12
IUPAC Name5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine
SMILESCC(C)C1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(C2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(OC(F)(F)F)ccc5[nH]4)c3)CC2)CC1.Cc1ccc(N2CCC(NCCc3ncnn3C)CC2)cc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C29H38F3N5O.C29H36N4.C26H33FN4.C25H30N6/c1-21(2)36-16-14-35(15-17-36)13-10-33-24-8-11-37(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(38-29(30,31)32)6-7-27(23)34-28;1-20(2)22-7-9-25(10-8-22)31-26-12-14-33(15-13-26)27-5-3-4-23(17-27)29-18-24-16-21(19-30)6-11-28(24)32-29;1-19(2)29-12-14-31(15-13-29)23-8-10-30(11-9-23)24-5-3-4-20(17-24)26-18-21-16-22(27)6-7-25(21)28-26;1-18-7-8-21(16-22(18)24-15-19-5-3-4-6-23(19)29-24)31-13-10-20(11-14-31)26-12-9-25-27-17-28-30(25)2/h3-7,18-21,24,33-34H,8-17H2,1-2H3;3-6,11,16-18,20,22,25-26,31-32H,7-10,12-15H2,1-2H3;3-7,16-19,23,28H,8-15H2,1-2H3;3-8,15-17,20,26,29H,9-14H2,1-2H3
InChIKeyAOLIFSZHQQKCLY-UHFFFAOYSA-N
XLogP20.84
TPSA188.90 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001805.42
LogP ≤ 520.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine with MolForge

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Related Compounds

2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[1-[[4-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(1,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methyl]-5-[(E)-prop-1-enyl]pyrazol-3-yl]-6-piperazin-1-ylpyrimidin-4-amine
CID 126732651
CID 158045216
CID 158045216
N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine
CID 158340363
5-[1-[5,5-difluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[1-[5,5-difluoro-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole
CID 158898437
CID 159341446
CID 159341446
4-[3-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-[2-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]-5-piperazin-1-ylbenzonitrile;3-piperazin-1-yl-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile
CID 160714265
CID 160883380
CID 160883380
CID 160897951
CID 160897951
N-(4-benzylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;4-N,4-N-dimethyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,4-diamine;5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzonitrile;5-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 161798989
2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 162213884
CID 167690800
CID 167690800
1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine
CID 123601400

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine?
The IUPAC name of 5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine (CID 164951301) is 5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine?
The canonical SMILES for 5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine is CC(C)C1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(C2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(OC(F)(F)F)ccc5[nH]4)c3)CC2)CC1.Cc1ccc(N2CCC(NCCc3ncnn3C)CC2)cc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine?
The InChIKey is AOLIFSZHQQKCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F3N5O.C29H36N4.C26H33FN4.C25H30N6/c1-21(2)36-16-14-35(15-17-36)13-10-33-24-8-11-37(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(38-29(30,31)32)6-7-27(23)34-28;1-20(2)22-7-9-25(10-8-22)31-26-12-14-33(15-13-26)27-5-3-4-23(17-27)29-18-24-16-21(19-30)6-11-28(24)32-29;1-19(2)29-12-14-31(15-13-29)23-8-10-30(11-9-23)24-5-3-4-20(17-24)26-18-21-16-22(27)6-7-25(21)28-26;1-18-7-8-21(16-22(18)24-15-19-5-3-4-6-23(19)29-24)31-13-10-20(11-14-31)26-12-9-25-27-17-28-30(25)2/h3-7,18-21,24,33-34H,8-17H2,1-2H3;3-6,11,16-18,20,22,25-26,31-32H,7-10,12-15H2,1-2H3;3-7,16-19,23,28H,8-15H2,1-2H3;3-8,15-17,20,26,29H,9-14H2,1-2H3.
What are the key properties of 5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine?
5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine has a molecular weight of 1805.42 g/mol, XLogP of 20.84, 23 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine is sourced from PubChem (CID 164951301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).