2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol

C24H24ClFN6O — CID 137442433

IUPAC2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc(Nc3ncc(Cl)c(-c4c[nH]c5cc(F)ccc45)n3)c2)CC1
InChIInChI=1S/C24H24ClFN6O/c25-21-15-28-24(30-23(21)20-14-27-22-12-16(26)4-5-19(20)22)29-17-2-1-3-18(13-17)32-8-6-31(7-9-32)10-11-33/h1-5,12-15,27,33H,6-11H2,(H,28,29,30)
InChIKeyLSGLNZFHYXHWLV-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.28
Rot. Bonds6

About 2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol

2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol (PubChem CID 137442433) has the molecular formula C24H24ClFN6O and a molecular weight of 466.95 g/mol. Its IUPAC name is 2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
PubChem CID137442433
Molecular FormulaC24H24ClFN6O
Molecular Weight466.95 g/mol
Exact Mass466.17
IUPAC Name2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc(Nc3ncc(Cl)c(-c4c[nH]c5cc(F)ccc45)n3)c2)CC1
InChIInChI=1S/C24H24ClFN6O/c25-21-15-28-24(30-23(21)20-14-27-22-12-16(26)4-5-19(20)22)29-17-2-1-3-18(13-17)32-8-6-31(7-9-32)10-11-33/h1-5,12-15,27,33H,6-11H2,(H,28,29,30)
InChIKeyLSGLNZFHYXHWLV-UHFFFAOYSA-N
XLogP4.28
TPSA80.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol 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-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol (CID 137442433) is 2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol is OCCN1CCN(c2cccc(Nc3ncc(Cl)c(-c4c[nH]c5cc(F)ccc45)n3)c2)CC1.
What is the InChIKey of 2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol?
The InChIKey is LSGLNZFHYXHWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6O/c25-21-15-28-24(30-23(21)20-14-27-22-12-16(26)4-5-19(20)22)29-17-2-1-3-18(13-17)32-8-6-31(7-9-32)10-11-33/h1-5,12-15,27,33H,6-11H2,(H,28,29,30).
What are the key properties of 2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol?
2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol has a molecular weight of 466.95 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[[5-chloro-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 137442433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).