2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol

C22H26F3N5O5 — CID 118226334

IUPAC2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCn1cc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cn1
InChIInChI=1S/C22H26F3N5O5/c23-22(24,25)35-19-3-1-18(2-4-19)29-21-13-20(26-16-27-21)17-14-28-30(15-17)5-7-32-9-11-34-12-10-33-8-6-31/h1-4,13-16,31H,5-12H2,(H,26,27,29)
InChIKeyCRAMHQZUBQJFGE-UHFFFAOYSA-N
MW497.47 g/mol
LogP3.02
Rot. Bonds15

About 2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 118226334) has the molecular formula C22H26F3N5O5 and a molecular weight of 497.47 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID118226334
Molecular FormulaC22H26F3N5O5
Molecular Weight497.47 g/mol
Exact Mass497.19
IUPAC Name2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCn1cc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cn1
InChIInChI=1S/C22H26F3N5O5/c23-22(24,25)35-19-3-1-18(2-4-19)29-21-13-20(26-16-27-21)17-14-28-30(15-17)5-7-32-9-11-34-12-10-33-8-6-31/h1-4,13-16,31H,5-12H2,(H,26,27,29)
InChIKeyCRAMHQZUBQJFGE-UHFFFAOYSA-N
XLogP3.02
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol 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

N-[2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]formamide
CID 144886710
6-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 118225981
2-bicyclo[2.2.1]hept-5-enylmethylidene-formyl-[2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]azanium
CID 123944518
2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid
CID 157319604
6-[4-(2-aminoethoxy)phenyl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 166112975
N-[2-[2-[2-[2-[2-[2-[2-[(4-fluorobenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 118226090
N-(4-phenoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 171989336
[4-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]phenyl]boronic acid
CID 123871838
N-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 42628828
3-methyl-N-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]butanamide
CID 143814531
N-[2-(dimethylamino)ethyl]-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 59983044
6-(4-propylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 68628098

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol (CID 118226334) is 2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCn1cc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cn1.
What is the InChIKey of 2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is CRAMHQZUBQJFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O5/c23-22(24,25)35-19-3-1-18(2-4-19)29-21-13-20(26-16-27-21)17-14-28-30(15-17)5-7-32-9-11-34-12-10-33-8-6-31/h1-4,13-16,31H,5-12H2,(H,26,27,29).
What are the key properties of 2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 497.47 g/mol, XLogP of 3.02, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 118226334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).