1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

C117H154F3N21 — CID 165089975

IUPAC1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(C#N)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C30H38N6.2C29H38FN5.C29H40FN5/c1-34-14-16-36(17-15-34)30(10-3-11-30)22-32-26-8-12-35(13-9-26)27-5-2-4-24(19-27)29-20-25-18-23(21-31)6-7-28(25)33-29;2*1-33-14-16-35(17-15-33)29(10-3-11-29)21-31-25-8-12-34(13-9-25)26-5-2-4-22(19-26)28-20-23-18-24(30)6-7-27(23)32-28;1-21(2)34-16-14-33(15-17-34)13-10-31-25-8-11-35(12-9-25)26-6-4-22(3)27(20-26)29-19-23-18-24(30)5-7-28(23)32-29/h2,4-7,18-20,26,32-33H,3,8-17,22H2,1H3;2*2,4-7,18-20,25,31-32H,3,8-17,21H2,1H3;4-7,18-21,25,31-32H,8-17H2,1-3H3
InChIKeyWNNISOAJCZFMMJ-UHFFFAOYSA-N
MW1911.66 g/mol
LogP18.71
Rot. Bonds25

About 1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (PubChem CID 165089975) has the molecular formula C117H154F3N21 and a molecular weight of 1911.66 g/mol. Its IUPAC name is 1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
PubChem CID165089975
Molecular FormulaC117H154F3N21
Molecular Weight1911.66 g/mol
Exact Mass1910.26
IUPAC Name1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(C#N)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C30H38N6.2C29H38FN5.C29H40FN5/c1-34-14-16-36(17-15-34)30(10-3-11-30)22-32-26-8-12-35(13-9-26)27-5-2-4-24(19-27)29-20-25-18-23(21-31)6-7-28(25)33-29;2*1-33-14-16-35(17-15-33)29(10-3-11-29)21-31-25-8-12-34(13-9-25)26-5-2-4-22(19-26)28-20-23-18-24(30)6-7-27(23)32-28;1-21(2)34-16-14-33(15-17-34)13-10-31-25-8-11-35(12-9-25)26-6-4-22(3)27(20-26)29-19-23-18-24(30)5-7-28(23)32-29/h2,4-7,18-20,26,32-33H,3,8-17,22H2,1H3;2*2,4-7,18-20,25,31-32H,3,8-17,21H2,1H3;4-7,18-21,25,31-32H,8-17H2,1-3H3
InChIKeyWNNISOAJCZFMMJ-UHFFFAOYSA-N
XLogP18.71
TPSA173.95 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001911.66
LogP ≤ 518.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile with MolForge

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Related Compounds

US11247985, Table 3.112
CID 140939164
US11247985, Table 3.79
CID 140939045
5-[3-[4-[6-[9-[2-[2,7-Bis(6-phenylpyridin-2-yl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenylpyridin-2-yl)carbazol-2-yl]-2-phenylpyridin-3-yl]-6-phenylpyridin-2-yl]carbazol-9-yl]-4-[3-(6-phenylpyridin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386388
2-[3-[4-[[3-[2-[4-[2-[[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]amino]ethyl]piperazin-1-yl]propyl]-1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 146536064
N-[1-[3-(5-fluoro-1H-indol-2-yl)-5-[[2-(5-fluoro-1H-indol-2-yl)-4-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]methyl]phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine
CID 146536090
5-[3-[3-[6-[9-[4-[2,7-Bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-(3,5-difluorophenyl)phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-5-phenylphenyl]carbazol-9-yl]-4-(3,5-difluorophenyl)-2-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 154959912
4-[3,6-Bis(6-phenyl-2-pyridinyl)-4a,9a-dihydrocarbazol-9-yl]-5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)benzonitrile
CID 154959952
3-[2-[3,6-Bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-6-[3-[5-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazol-3-yl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155378007
1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-but-3-ynyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]-1H-indole;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile
CID 157098300
N-[3,5-difluoro-4-[(1S)-2-(2-fluoropropyl)-3,3-dimethyl-4,9-dihydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-1-(3-fluoropropyl)azetidin-3-amine;N-[4-[(1R,3R)-2-(2,2-difluoropropyl)-5-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]-1-(3-fluoropropyl)azetidin-3-amine;N-[4-[(1S,3S)-2-(2,2-difluoropropyl)-5-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]-1-(3-fluoropropyl)azetidin-3-amine
CID 158207948
2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine
CID 158252470
1-[3-(5-amino-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-benzyl-2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indene-5-sulfonamide;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-6-carbonitrile;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]phenyl]-1H-indole;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethyl)-1H-indol-2-yl]phenyl]piperidin-4-amine
CID 158285354

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The IUPAC name of 1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (CID 165089975) is 1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(C#N)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The InChIKey is WNNISOAJCZFMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6.2C29H38FN5.C29H40FN5/c1-34-14-16-36(17-15-34)30(10-3-11-30)22-32-26-8-12-35(13-9-26)27-5-2-4-24(19-27)29-20-25-18-23(21-31)6-7-28(25)33-29;2*1-33-14-16-35(17-15-33)29(10-3-11-29)21-31-25-8-12-34(13-9-25)26-5-2-4-22(19-26)28-20-23-18-24(30)6-7-27(23)32-28;1-21(2)34-16-14-33(15-17-34)13-10-31-25-8-11-35(12-9-25)26-6-4-22(3)27(20-26)29-19-23-18-24(30)5-7-28(23)32-29/h2,4-7,18-20,26,32-33H,3,8-17,22H2,1H3;2*2,4-7,18-20,25,31-32H,3,8-17,21H2,1H3;4-7,18-21,25,31-32H,8-17H2,1-3H3.
What are the key properties of 1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile has a molecular weight of 1911.66 g/mol, XLogP of 18.71, 25 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;bis(1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine);2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 165089975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).