6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione

C23H18ClF4N5O4 — CID 67960677

IUPAC6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione
SMILESCn1cc(CN2CC(=O)C(OCCc3cnc(Oc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)=NC2=O)cn1
InChIInChI=1S/C23H18ClF4N5O4/c1-32-10-14(9-30-32)11-33-12-19(34)21(31-22(33)35)36-5-4-13-6-18(25)20(29-8-13)37-15-2-3-17(24)16(7-15)23(26,27)28/h2-3,6-10H,4-5,11-12H2,1H3
InChIKeyFONKILDOSKZIMA-UHFFFAOYSA-N
MW539.87 g/mol
LogP4.58
Rot. Bonds7

About 6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione

6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione (PubChem CID 67960677) has the molecular formula C23H18ClF4N5O4 and a molecular weight of 539.87 g/mol. Its IUPAC name is 6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione.

Molecular Properties

Compound Name6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione
PubChem CID67960677
Molecular FormulaC23H18ClF4N5O4
Molecular Weight539.87 g/mol
Exact Mass539.10
IUPAC Name6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione
SMILESCn1cc(CN2CC(=O)C(OCCc3cnc(Oc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)=NC2=O)cn1
InChIInChI=1S/C23H18ClF4N5O4/c1-32-10-14(9-30-32)11-33-12-19(34)21(31-22(33)35)36-5-4-13-6-18(25)20(29-8-13)37-15-2-3-17(24)16(7-15)23(26,27)28/h2-3,6-10H,4-5,11-12H2,1H3
InChIKeyFONKILDOSKZIMA-UHFFFAOYSA-N
XLogP4.58
TPSA98.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.87
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione 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 6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione?
The IUPAC name of 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) is 6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione.
What is the SMILES notation for 6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione?
The canonical SMILES for 6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione is Cn1cc(CN2CC(=O)C(OCCc3cnc(Oc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)=NC2=O)cn1.
What is the InChIKey of 6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione?
The InChIKey is FONKILDOSKZIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF4N5O4/c1-32-10-14(9-30-32)11-33-12-19(34)21(31-22(33)35)36-5-4-13-6-18(25)20(29-8-13)37-15-2-3-17(24)16(7-15)23(26,27)28/h2-3,6-10H,4-5,11-12H2,1H3.
What are the key properties of 6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione?
6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione has a molecular weight of 539.87 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]-3-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidine-2,5-dione is sourced from PubChem (CID 67960677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).