2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine

C26H24F3N5O3 — CID 25071909

IUPAC2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2-c2ncco2)c(C(F)(F)F)cn1
InChIInChI=1S/C26H24F3N5O3/c1-35-23-14-17(34-9-12-36-13-10-34)6-7-21(23)33-24-15-22(19(16-31-24)26(27,28)29)32-20-5-3-2-4-18(20)25-30-8-11-37-25/h2-8,11,14-16H,9-10,12-13H2,1H3,(H2,31,32,33)
InChIKeyDIBTUBYFLDGUEY-UHFFFAOYSA-N
MW511.50 g/mol
LogP6.09
Rot. Bonds7

About 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine

2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 25071909) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID25071909
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC Name2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2-c2ncco2)c(C(F)(F)F)cn1
InChIInChI=1S/C26H24F3N5O3/c1-35-23-14-17(34-9-12-36-13-10-34)6-7-21(23)33-24-15-22(19(16-31-24)26(27,28)29)32-20-5-3-2-4-18(20)25-30-8-11-37-25/h2-8,11,14-16H,9-10,12-13H2,1H3,(H2,31,32,33)
InChIKeyDIBTUBYFLDGUEY-UHFFFAOYSA-N
XLogP6.09
TPSA84.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.50
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine 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-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine (CID 25071909) is 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine is COc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2-c2ncco2)c(C(F)(F)F)cn1.
What is the InChIKey of 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is DIBTUBYFLDGUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-35-23-14-17(34-9-12-36-13-10-34)6-7-21(23)33-24-15-22(19(16-31-24)26(27,28)29)32-20-5-3-2-4-18(20)25-30-8-11-37-25/h2-8,11,14-16H,9-10,12-13H2,1H3,(H2,31,32,33).
What are the key properties of 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine?
2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 511.50 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-[2-(1,3-oxazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 25071909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).