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

C52H65F2N9 — CID 146536090

IUPACN-[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
SMILESCC(C)N1CCN(NC2CCN(c3cc(Cc4ccc(N5CCC(NC6CCN(C)CC6)CC5)cc4-c4cc5cc(F)ccc5[nH]4)cc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C52H65F2N9/c1-35(2)60-22-24-63(25-23-60)58-45-14-20-62(21-15-45)47-28-36(27-38(31-47)51-32-39-29-41(53)5-8-49(39)56-51)26-37-4-7-46(34-48(37)52-33-40-30-42(54)6-9-50(40)57-52)61-18-12-44(13-19-61)55-43-10-16-59(3)17-11-43/h4-9,27-35,43-45,55-58H,10-26H2,1-3H3
InChIKeyOVCKHZDPLUKFGH-UHFFFAOYSA-N
MW854.15 g/mol
LogP9.00
Rot. Bonds11

About 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

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 (PubChem CID 146536090) has the molecular formula C52H65F2N9 and a molecular weight of 854.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID146536090
Molecular FormulaC52H65F2N9
Molecular Weight854.15 g/mol
Exact Mass853.53
IUPAC NameN-[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
SMILESCC(C)N1CCN(NC2CCN(c3cc(Cc4ccc(N5CCC(NC6CCN(C)CC6)CC5)cc4-c4cc5cc(F)ccc5[nH]4)cc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C52H65F2N9/c1-35(2)60-22-24-63(25-23-60)58-45-14-20-62(21-15-45)47-28-36(27-38(31-47)51-32-39-29-41(53)5-8-49(39)56-51)26-37-4-7-46(34-48(37)52-33-40-30-42(54)6-9-50(40)57-52)61-18-12-44(13-19-61)55-43-10-16-59(3)17-11-43/h4-9,27-35,43-45,55-58H,10-26H2,1-3H3
InChIKeyOVCKHZDPLUKFGH-UHFFFAOYSA-N
XLogP9.00
TPSA71.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.15
LogP ≤ 59.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCN(NC2CCN(c3cc(Cc4ccc(N5CCC(NC6CCN(C)CC6)CC5)cc4-c4cc5cc(F)ccc5[nH]4)cc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of 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?
The InChIKey is OVCKHZDPLUKFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H65F2N9/c1-35(2)60-22-24-63(25-23-60)58-45-14-20-62(21-15-45)47-28-36(27-38(31-47)51-32-39-29-41(53)5-8-49(39)56-51)26-37-4-7-46(34-48(37)52-33-40-30-42(54)6-9-50(40)57-52)61-18-12-44(13-19-61)55-43-10-16-59(3)17-11-43/h4-9,27-35,43-45,55-58H,10-26H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 854.15 g/mol, XLogP of 9.00, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146536090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).