N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

C111H143F2N19 — CID 165045133

IUPACN-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1.Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(C#N)ccc2[nH]1
InChIInChI=1S/C30H40N6.C28H35N5.C27H35FN4.C26H33FN4/c1-22(2)35-16-14-34(15-17-35)13-10-32-26-8-11-36(12-9-26)27-6-4-23(3)28(20-27)30-19-25-18-24(21-31)5-7-29(25)33-30;1-20(2)32-12-8-24(9-13-32)30-25-10-14-33(15-11-25)26-5-3-4-22(17-26)28-18-23-16-21(19-29)6-7-27(23)31-28;1-19(2)31-12-8-23(9-13-31)29-24-10-14-32(15-11-24)25-5-3-4-20(17-25)27-18-21-16-22(28)6-7-26(21)30-27;1-18-3-5-23(17-24(18)26-16-19-15-20(27)4-6-25(19)29-26)31-13-9-22(10-14-31)28-21-7-11-30(2)12-8-21/h4-7,18-20,22,26,32-33H,8-17H2,1-3H3;3-7,16-18,20,24-25,30-31H,8-15H2,1-2H3;3-7,16-19,23-24,29-30H,8-15H2,1-2H3;3-6,15-17,21-22,28-29H,7-14H2,1-2H3
InChIKeyOTTJSNJKOACRJA-UHFFFAOYSA-N
MW1781.49 g/mol
LogP20.08
Rot. Bonds21

About N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (PubChem CID 165045133) has the molecular formula C111H143F2N19 and a molecular weight of 1781.49 g/mol. Its IUPAC name is N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound NameN-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
PubChem CID165045133
Molecular FormulaC111H143F2N19
Molecular Weight1781.49 g/mol
Exact Mass1780.17
IUPAC NameN-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1.Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(C#N)ccc2[nH]1
InChIInChI=1S/C30H40N6.C28H35N5.C27H35FN4.C26H33FN4/c1-22(2)35-16-14-34(15-17-35)13-10-32-26-8-11-36(12-9-26)27-6-4-23(3)28(20-27)30-19-25-18-24(21-31)5-7-29(25)33-30;1-20(2)32-12-8-24(9-13-32)30-25-10-14-33(15-11-25)26-5-3-4-22(17-26)28-18-23-16-21(19-29)6-7-27(23)31-28;1-19(2)31-12-8-23(9-13-31)29-24-10-14-32(15-11-24)25-5-3-4-20(17-25)27-18-21-16-22(28)6-7-26(21)30-27;1-18-3-5-23(17-24(18)26-16-19-15-20(27)4-6-25(19)29-26)31-13-9-22(10-14-31)28-21-7-11-30(2)12-8-21/h4-7,18-20,22,26,32-33H,8-17H2,1-3H3;3-7,16-18,20,24-25,30-31H,8-15H2,1-2H3;3-7,16-19,23-24,29-30H,8-15H2,1-2H3;3-6,15-17,21-22,28-29H,7-14H2,1-2H3
InChIKeyOTTJSNJKOACRJA-UHFFFAOYSA-N
XLogP20.08
TPSA188.02 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001781.49
LogP ≤ 520.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Analyze N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile with MolForge

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Related Compounds

US11247985, Table 3.112
CID 140939164
US11247985, Table 3.71
CID 140939059
4,5-Bis[3,6-bis(6-phenylpyridin-2-yl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381363
3-[3,6-Bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381527
2-[5-[2-[9-[5-Cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenylpyridin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenylpyridin-3-yl]-3-(6-phenylpyridin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenylpyridin-2-yl)carbazol-9-yl]benzonitrile
CID 137381783
5-[3,6-Bis(6-phenylpyridin-2-yl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenylpyridin-3-yl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenylpyridin-3-yl]-6-phenylpyridin-2-yl]-6-(6-phenylpyridin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386386
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
6-[2-[5-[9-[3-[2,7-Bis(2-phenylpyridin-3-yl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenylpyridin-3-yl)carbazol-2-yl]-6-phenylpyridin-3-yl]-6-(2-phenylpyridin-3-yl)carbazol-9-yl]-2-[3-(2-phenylpyridin-3-yl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386666
2,6-Bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 137386818
2-[3,6-Bis(2-phenylpyridin-3-yl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenylpyridin-3-yl]-6-(2-phenylpyridin-3-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386823
4-[2,5-Bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenylpyridin-2-yl)carbazol-9-yl]phenyl]-6-(6-phenylpyridin-2-yl)carbazol-4-yl]-6-phenylpyridin-2-yl]carbazol-9-yl]-2-[2-(6-phenylpyridin-2-yl)carbazol-9-yl]benzonitrile
CID 137392576
6-[3,6-Bis(2-phenylpyridin-3-yl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenylpyridin-3-yl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenylpyridin-3-yl)carbazol-2-yl]-6-phenylpyridin-3-yl]-2-phenylpyridin-3-yl]-6-(2-phenylpyridin-3-yl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137393455

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The IUPAC name of N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (CID 165045133) is N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The canonical SMILES for N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1.Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(C#N)ccc2[nH]1.
What is the InChIKey of N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The InChIKey is OTTJSNJKOACRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6.C28H35N5.C27H35FN4.C26H33FN4/c1-22(2)35-16-14-34(15-17-35)13-10-32-26-8-11-36(12-9-26)27-6-4-23(3)28(20-27)30-19-25-18-24(21-31)5-7-29(25)33-30;1-20(2)32-12-8-24(9-13-32)30-25-10-14-33(15-11-25)26-5-3-4-22(17-26)28-18-23-16-21(19-29)6-7-27(23)31-28;1-19(2)31-12-8-23(9-13-31)29-24-10-14-32(15-11-24)25-5-3-4-20(17-25)27-18-21-16-22(28)6-7-26(21)30-27;1-18-3-5-23(17-24(18)26-16-19-15-20(27)4-6-25(19)29-26)31-13-9-22(10-14-31)28-21-7-11-30(2)12-8-21/h4-7,18-20,22,26,32-33H,8-17H2,1-3H3;3-7,16-18,20,24-25,30-31H,8-15H2,1-2H3;3-7,16-19,23-24,29-30H,8-15H2,1-2H3;3-6,15-17,21-22,28-29H,7-14H2,1-2H3.
What are the key properties of N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile has a molecular weight of 1781.49 g/mol, XLogP of 20.08, 21 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 165045133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).