3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol

C23H23F4N5O2 — CID 143727682

IUPAC3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol
SMILESOC(CCc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C23H23F4N5O2/c24-18-14-29-21(31-22(18)32-8-10-34-11-9-32)7-6-20(33)19-5-4-17(13-28-19)30-16-3-1-2-15(12-16)23(25,26)27/h1-5,12-14,20,30,33H,6-11H2
InChIKeyMPYHNXBEBRWAGR-UHFFFAOYSA-N
MW477.46 g/mol
LogP4.28
Rot. Bonds7

About 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol

3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol (PubChem CID 143727682) has the molecular formula C23H23F4N5O2 and a molecular weight of 477.46 g/mol. Its IUPAC name is 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol
PubChem CID143727682
Molecular FormulaC23H23F4N5O2
Molecular Weight477.46 g/mol
Exact Mass477.18
IUPAC Name3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol
SMILESOC(CCc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C23H23F4N5O2/c24-18-14-29-21(31-22(18)32-8-10-34-11-9-32)7-6-20(33)19-5-4-17(13-28-19)30-16-3-1-2-15(12-16)23(25,26)27/h1-5,12-14,20,30,33H,6-11H2
InChIKeyMPYHNXBEBRWAGR-UHFFFAOYSA-N
XLogP4.28
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 25073587
3-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-hydroxy-5-[3-(trifluoromethyl)anilino]benzohydrazide
CID 58876934
3-[[3-[[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol
CID 70951263
morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109184685
N-[(E)-[5-[3-[(3-chlorophenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 172933018
3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-phenylpyridin-3-amine
CID 172955377
1-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)anilino]piperazin-2-one
CID 58877174
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methoxy-5-[3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58877338
5-[3-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-methylanilino]pyridine-2-carbohydrazide
CID 158275388
5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-[3-piperidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 91000313
3-[3-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-propylanilino]-5-(trifluoromethyl)phenyl]phenol
CID 91355417
3-[3-[4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-3-propan-2-ylanilino]-5-(trifluoromethyl)phenyl]phenol
CID 91099128

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol?
The IUPAC name of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol (CID 143727682) is 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol is OC(CCc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol?
The InChIKey is MPYHNXBEBRWAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O2/c24-18-14-29-21(31-22(18)32-8-10-34-11-9-32)7-6-20(33)19-5-4-17(13-28-19)30-16-3-1-2-15(12-16)23(25,26)27/h1-5,12-14,20,30,33H,6-11H2.
What are the key properties of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol?
3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol has a molecular weight of 477.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 143727682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).