5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one

C23H20F5N5O3 — CID 67966695

IUPAC5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one
SMILESCN1CC(Cn2cc(F)c(OCCc3ccc(Oc4ccc(F)c(C(F)(F)F)c4)nc3)nc2=O)C=N1
InChIInChI=1S/C23H20F5N5O3/c1-32-11-15(10-30-32)12-33-13-19(25)21(31-22(33)34)35-7-6-14-2-5-20(29-9-14)36-16-3-4-18(24)17(8-16)23(26,27)28/h2-5,8-10,13,15H,6-7,11-12H2,1H3
InChIKeyYIJJZXRCVVEMKF-UHFFFAOYSA-N
MW509.44 g/mol
LogP3.90
Rot. Bonds8

About 5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one

5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one (PubChem CID 67966695) has the molecular formula C23H20F5N5O3 and a molecular weight of 509.44 g/mol. Its IUPAC name is 5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one
PubChem CID67966695
Molecular FormulaC23H20F5N5O3
Molecular Weight509.44 g/mol
Exact Mass509.15
IUPAC Name5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one
SMILESCN1CC(Cn2cc(F)c(OCCc3ccc(Oc4ccc(F)c(C(F)(F)F)c4)nc3)nc2=O)C=N1
InChIInChI=1S/C23H20F5N5O3/c1-32-11-15(10-30-32)12-33-13-19(25)21(31-22(33)34)35-7-6-14-2-5-20(29-9-14)36-16-3-4-18(24)17(8-16)23(26,27)28/h2-5,8-10,13,15H,6-7,11-12H2,1H3
InChIKeyYIJJZXRCVVEMKF-UHFFFAOYSA-N
XLogP3.90
TPSA81.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

11-[[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
CID 118686160
4-[2-[4-(3,4-difluorophenoxy)-3-fluorophenyl]ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one
CID 67960094
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921
7-[[3-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
CID 71243771
5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine
CID 151659011
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
CID 103242073
6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione
CID 67960677
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methylsulfanylpyrimidine
CID 67661500
2,5-dichloro-4-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]pyrimidine
CID 88532884
(4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 166074063
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-[(6-methoxy-1-methyl-2-oxopyrimidin-4-yl)oxymethyl]benzonitrile
CID 121448361
5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine
CID 107087768

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one?
The IUPAC name of 5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one (CID 67966695) is 5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one is CN1CC(Cn2cc(F)c(OCCc3ccc(Oc4ccc(F)c(C(F)(F)F)c4)nc3)nc2=O)C=N1.
What is the InChIKey of 5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one?
The InChIKey is YIJJZXRCVVEMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F5N5O3/c1-32-11-15(10-30-32)12-33-13-19(25)21(31-22(33)34)35-7-6-14-2-5-20(29-9-14)36-16-3-4-18(24)17(8-16)23(26,27)28/h2-5,8-10,13,15H,6-7,11-12H2,1H3.
What are the key properties of 5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one?
5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one has a molecular weight of 509.44 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]-1-[(2-methyl-3,4-dihydropyrazol-4-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 67966695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).