2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

C32H42N6 — CID 140939118

IUPAC2-[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
InChIInChI=1S/C32H42N6/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/h3,5-8,19-21,24,28,34-35H,4,9-18,23H2,1-2H3
InChIKeyXAHDAXILCARPBM-UHFFFAOYSA-N
MW510.73 g/mol
LogP5.21
Rot. Bonds7

About 2-[3-[4-[[1-(4-propan-2-ylpiperazin-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 140939118) has the molecular formula C32H42N6 and a molecular weight of 510.73 g/mol. Its IUPAC name is 2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
PubChem CID140939118
Molecular FormulaC32H42N6
Molecular Weight510.73 g/mol
Exact Mass510.35
IUPAC Name2-[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
InChIInChI=1S/C32H42N6/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/h3,5-8,19-21,24,28,34-35H,4,9-18,23H2,1-2H3
InChIKeyXAHDAXILCARPBM-UHFFFAOYSA-N
XLogP5.21
TPSA61.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.73
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The IUPAC name of 2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (CID 140939118) is 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 2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 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.
What is the InChIKey of 2-[3-[4-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The InChIKey is XAHDAXILCARPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6/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/h3,5-8,19-21,24,28,34-35H,4,9-18,23H2,1-2H3.
What are the key properties of 2-[3-[4-[[1-(4-propan-2-ylpiperazin-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 510.73 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 140939118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).