2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine

C29H20F5N3O2 — CID 170522863

IUPAC2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine
SMILESCc1c(Oc2ncc(C(F)(F)F)c(C)c2-c2cc(OCc3ccccc3)c3cnccc3n2)ccc(F)c1F
InChIInChI=1S/C29H20F5N3O2/c1-16-20(29(32,33)34)14-36-28(39-24-9-8-21(30)27(31)17(24)2)26(16)23-12-25(19-13-35-11-10-22(19)37-23)38-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3
InChIKeyCHEJUIVUYFFQKE-UHFFFAOYSA-N
MW537.49 g/mol
LogP7.98
Rot. Bonds6

About 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine

2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine (PubChem CID 170522863) has the molecular formula C29H20F5N3O2 and a molecular weight of 537.49 g/mol. Its IUPAC name is 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine.

Molecular Properties

Compound Name2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine
PubChem CID170522863
Molecular FormulaC29H20F5N3O2
Molecular Weight537.49 g/mol
Exact Mass537.15
IUPAC Name2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine
SMILESCc1c(Oc2ncc(C(F)(F)F)c(C)c2-c2cc(OCc3ccccc3)c3cnccc3n2)ccc(F)c1F
InChIInChI=1S/C29H20F5N3O2/c1-16-20(29(32,33)34)14-36-28(39-24-9-8-21(30)27(31)17(24)2)26(16)23-12-25(19-13-35-11-10-22(19)37-23)38-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3
InChIKeyCHEJUIVUYFFQKE-UHFFFAOYSA-N
XLogP7.98
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.49
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine with MolForge

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Related Compounds

2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine
CID 169249600
2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine
CID 169249635
2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-6-oxido-4-phenylmethoxy-1,6-naphthyridin-6-ium
CID 169249690
2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile
CID 169249822
[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 169249198
4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine
CID 169249618
2-(2,6-difluoro-3-phenylmethoxyphenyl)pyridine
CID 174635964
6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyridin-4-one
CID 169250512
6,7-bis(phenylmethoxy)isoquinoline
CID 14151864
2-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-4-phenylmethoxy-1,6-naphthyridin-6-ium
CID 169249107
3-methyl-7-(3-phenylmethoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 123315397
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine?
The IUPAC name of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine (CID 170522863) is 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine.
What is the SMILES notation for 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine?
The canonical SMILES for 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine is Cc1c(Oc2ncc(C(F)(F)F)c(C)c2-c2cc(OCc3ccccc3)c3cnccc3n2)ccc(F)c1F.
What is the InChIKey of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine?
The InChIKey is CHEJUIVUYFFQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F5N3O2/c1-16-20(29(32,33)34)14-36-28(39-24-9-8-21(30)27(31)17(24)2)26(16)23-12-25(19-13-35-11-10-22(19)37-23)38-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3.
What are the key properties of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine?
2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine has a molecular weight of 537.49 g/mol, XLogP of 7.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine is sourced from PubChem (CID 170522863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).