2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine

C29H18F6N2O3 — CID 169249635

IUPAC2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine
SMILESCOc1c(Oc2cc(C(F)(F)F)c(F)cc2-c2cc(OCc3ccccc3)c3cnccc3n2)ccc(F)c1F
InChIInChI=1S/C29H18F6N2O3/c1-38-28-24(8-7-20(30)27(28)32)40-26-12-19(29(33,34)35)21(31)11-17(26)23-13-25(18-14-36-10-9-22(18)37-23)39-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyLZYGQTWFSCIWDN-UHFFFAOYSA-N
MW556.46 g/mol
LogP8.11
Rot. Bonds7

About 2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine

2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine (PubChem CID 169249635) has the molecular formula C29H18F6N2O3 and a molecular weight of 556.46 g/mol. Its IUPAC name is 2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine.

Molecular Properties

Compound Name2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine
PubChem CID169249635
Molecular FormulaC29H18F6N2O3
Molecular Weight556.46 g/mol
Exact Mass556.12
IUPAC Name2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine
SMILESCOc1c(Oc2cc(C(F)(F)F)c(F)cc2-c2cc(OCc3ccccc3)c3cnccc3n2)ccc(F)c1F
InChIInChI=1S/C29H18F6N2O3/c1-38-28-24(8-7-20(30)27(28)32)40-26-12-19(29(33,34)35)21(31)11-17(26)23-13-25(18-14-36-10-9-22(18)37-23)39-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyLZYGQTWFSCIWDN-UHFFFAOYSA-N
XLogP8.11
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.46
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine with MolForge

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Related Compounds

2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-6-oxido-4-phenylmethoxy-1,6-naphthyridin-6-ium
CID 169249690
4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine
CID 169249618
2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile
CID 169249822
2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine
CID 170522863
N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide
CID 169249630
2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxylic acid
CID 169249336
2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine
CID 169249600
5-[amino(hydroxy)methyl]-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrido[2,3-d]pyridazin-4-one
CID 170369490
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline
CID 156781535
6,7-bis(phenylmethoxy)isoquinoline
CID 14151864
6-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-4-oxo-1H-pyridine-3-sulfonamide
CID 169250691

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine?
The IUPAC name of 2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine (CID 169249635) is 2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine.
What is the SMILES notation for 2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine?
The canonical SMILES for 2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine is COc1c(Oc2cc(C(F)(F)F)c(F)cc2-c2cc(OCc3ccccc3)c3cnccc3n2)ccc(F)c1F.
What is the InChIKey of 2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine?
The InChIKey is LZYGQTWFSCIWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18F6N2O3/c1-38-28-24(8-7-20(30)27(28)32)40-26-12-19(29(33,34)35)21(31)11-17(26)23-13-25(18-14-36-10-9-22(18)37-23)39-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3.
What are the key properties of 2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine?
2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine has a molecular weight of 556.46 g/mol, XLogP of 8.11, 7 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-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridine is sourced from PubChem (CID 169249635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).