5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C27H21F3N4O3 — CID 162712911

IUPAC5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)CC(c3cc(-c5cccc(C(F)(F)F)c5)n[nH]3)CO4)ccnc2N1
InChIInChI=1S/C27H21F3N4O3/c28-27(29,30)18-3-1-2-15(11-18)21-13-22(34-33-21)17-10-16-12-19(4-6-23(16)36-14-17)37-24-8-9-31-26-20(24)5-7-25(35)32-26/h1-4,6,8-9,11-13,17H,5,7,10,14H2,(H,33,34)(H,31,32,35)
InChIKeyYAQVTSYPNZFHKN-UHFFFAOYSA-N
MW506.48 g/mol
LogP5.89
Rot. Bonds4

About 5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 162712911) has the molecular formula C27H21F3N4O3 and a molecular weight of 506.48 g/mol. Its IUPAC name is 5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID162712911
Molecular FormulaC27H21F3N4O3
Molecular Weight506.48 g/mol
Exact Mass506.16
IUPAC Name5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)CC(c3cc(-c5cccc(C(F)(F)F)c5)n[nH]3)CO4)ccnc2N1
InChIInChI=1S/C27H21F3N4O3/c28-27(29,30)18-3-1-2-15(11-18)21-13-22(34-33-21)17-10-16-12-19(4-6-23(16)36-14-17)37-24-8-9-31-26-20(24)5-7-25(35)32-26/h1-4,6,8-9,11-13,17H,5,7,10,14H2,(H,33,34)(H,31,32,35)
InChIKeyYAQVTSYPNZFHKN-UHFFFAOYSA-N
XLogP5.89
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.48
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 162712911) is 5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(Oc3ccc4c(c3)CC(c3cc(-c5cccc(C(F)(F)F)c5)n[nH]3)CO4)ccnc2N1.
What is the InChIKey of 5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is YAQVTSYPNZFHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N4O3/c28-27(29,30)18-3-1-2-15(11-18)21-13-22(34-33-21)17-10-16-12-19(4-6-23(16)36-14-17)37-24-8-9-31-26-20(24)5-7-25(35)32-26/h1-4,6,8-9,11-13,17H,5,7,10,14H2,(H,33,34)(H,31,32,35).
What are the key properties of 5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 506.48 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 162712911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).