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

C122H160F2N20 — CID 159530036

IUPAC5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCC(C)N1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(C#N)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CCC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(C#N)ccc6[nH]5)c4)CC3)CCC2)CC1.Cc1ccc(N2CCC(CCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C32H42N6.C30H39FN4.C30H41FN4.C30H38N6/c1-24(2)36-15-17-38(18-16-36)32(11-4-12-32)23-34-28-9-13-37(14-10-28)29-6-3-5-26(20-29)31-21-27-19-25(22-33)7-8-30(27)35-31;1-33-16-18-35(19-17-33)30(11-3-12-30)13-8-23-9-14-34(15-10-23)27-5-2-4-24(21-27)29-22-25-20-26(31)6-7-28(25)32-29;1-22(2)34-17-15-33(16-18-34)12-4-5-24-10-13-35(14-11-24)27-8-6-23(3)28(21-27)30-20-25-19-26(31)7-9-29(25)32-30;1-34-14-16-36(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/h3,5-8,19-21,24,28,34-35H,4,9-18,23H2,1-2H3;2,4-7,20-23,32H,3,8-19H2,1H3;6-9,19-22,24,32H,4-5,10-18H2,1-3H3;2,4-7,18-20,26,32-33H,3,8-17,22H2,1H3
InChIKeyMCWLUWSADGMEOH-UHFFFAOYSA-N
MW1944.76 g/mol
LogP22.09
Rot. Bonds26

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

5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (PubChem CID 159530036) has the molecular formula C122H160F2N20 and a molecular weight of 1944.76 g/mol. Its IUPAC name is 5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
PubChem CID159530036
Molecular FormulaC122H160F2N20
Molecular Weight1944.76 g/mol
Exact Mass1943.31
IUPAC Name5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCC(C)N1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(C#N)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CCC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(C#N)ccc6[nH]5)c4)CC3)CCC2)CC1.Cc1ccc(N2CCC(CCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C32H42N6.C30H39FN4.C30H41FN4.C30H38N6/c1-24(2)36-15-17-38(18-16-36)32(11-4-12-32)23-34-28-9-13-37(14-10-28)29-6-3-5-26(20-29)31-21-27-19-25(22-33)7-8-30(27)35-31;1-33-16-18-35(19-17-33)30(11-3-12-30)13-8-23-9-14-34(15-10-23)27-5-2-4-24(21-27)29-22-25-20-26(31)6-7-28(25)32-29;1-22(2)34-17-15-33(16-18-34)12-4-5-24-10-13-35(14-11-24)27-8-6-23(3)28(21-27)30-20-25-19-26(31)7-9-29(25)32-30;1-34-14-16-36(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/h3,5-8,19-21,24,28,34-35H,4,9-18,23H2,1-2H3;2,4-7,20-23,32H,3,8-19H2,1H3;6-9,19-22,24,32H,4-5,10-18H2,1-3H3;2,4-7,18-20,26,32-33H,3,8-17,22H2,1H3
InChIKeyMCWLUWSADGMEOH-UHFFFAOYSA-N
XLogP22.09
TPSA173.68 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001944.76
LogP ≤ 522.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The IUPAC name of 5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (CID 159530036) is 5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is CC(C)N1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(C#N)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CCC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(C#N)ccc6[nH]5)c4)CC3)CCC2)CC1.Cc1ccc(N2CCC(CCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The InChIKey is MCWLUWSADGMEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6.C30H39FN4.C30H41FN4.C30H38N6/c1-24(2)36-15-17-38(18-16-36)32(11-4-12-32)23-34-28-9-13-37(14-10-28)29-6-3-5-26(20-29)31-21-27-19-25(22-33)7-8-30(27)35-31;1-33-16-18-35(19-17-33)30(11-3-12-30)13-8-23-9-14-34(15-10-23)27-5-2-4-24(21-27)29-22-25-20-26(31)6-7-28(25)32-29;1-22(2)34-17-15-33(16-18-34)12-4-5-24-10-13-35(14-11-24)27-8-6-23(3)28(21-27)30-20-25-19-26(31)7-9-29(25)32-30;1-34-14-16-36(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/h3,5-8,19-21,24,28,34-35H,4,9-18,23H2,1-2H3;2,4-7,20-23,32H,3,8-19H2,1H3;6-9,19-22,24,32H,4-5,10-18H2,1-3H3;2,4-7,18-20,26,32-33H,3,8-17,22H2,1H3.
What are the key properties of 5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile has a molecular weight of 1944.76 g/mol, XLogP of 22.09, 26 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-[4-[2-[1-(4-methylpiperazin-1-yl)cyclobutyl]ethyl]piperidin-1-yl]phenyl]-1H-indole;5-fluoro-2-[2-methyl-5-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 159530036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).