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

C31H19F6N3O3 — CID 169249822

IUPAC2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile
SMILESCOc1c(Oc2cc(C(F)(F)F)c(F)cc2-c2cc(OCc3ccccc3)c3c(CC#N)nccc3n2)ccc(F)c1F
InChIInChI=1S/C31H19F6N3O3/c1-41-30-25(8-7-20(32)29(30)34)43-26-14-19(31(35,36)37)21(33)13-18(26)24-15-27(42-16-17-5-3-2-4-6-17)28-22(9-11-38)39-12-10-23(28)40-24/h2-8,10,12-15H,9,16H2,1H3
InChIKeyRNPMWBCRZNENJM-UHFFFAOYSA-N
MW595.50 g/mol
LogP8.18
Rot. Bonds8

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

2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile (PubChem CID 169249822) has the molecular formula C31H19F6N3O3 and a molecular weight of 595.50 g/mol. Its IUPAC name is 2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile
PubChem CID169249822
Molecular FormulaC31H19F6N3O3
Molecular Weight595.50 g/mol
Exact Mass595.13
IUPAC Name2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile
SMILESCOc1c(Oc2cc(C(F)(F)F)c(F)cc2-c2cc(OCc3ccccc3)c3c(CC#N)nccc3n2)ccc(F)c1F
InChIInChI=1S/C31H19F6N3O3/c1-41-30-25(8-7-20(32)29(30)34)43-26-14-19(31(35,36)37)21(33)13-18(26)24-15-27(42-16-17-5-3-2-4-6-17)28-22(9-11-38)39-12-10-23(28)40-24/h2-8,10,12-15H,9,16H2,1H3
InChIKeyRNPMWBCRZNENJM-UHFFFAOYSA-N
XLogP8.18
TPSA77.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.50
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-chloro-2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-1,6-naphthyridine
CID 169249618
2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-1,6-naphthyridine
CID 170522863
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
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline
CID 156781535
2-(3-tert-butyl-4-phenylmethoxyphenyl)acetonitrile
CID 129322944
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
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide
CID 169249630

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile?
The IUPAC name of 2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile (CID 169249822) is 2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile?
The canonical SMILES for 2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile is COc1c(Oc2cc(C(F)(F)F)c(F)cc2-c2cc(OCc3ccccc3)c3c(CC#N)nccc3n2)ccc(F)c1F.
What is the InChIKey of 2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile?
The InChIKey is RNPMWBCRZNENJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19F6N3O3/c1-41-30-25(8-7-20(32)29(30)34)43-26-14-19(31(35,36)37)21(33)13-18(26)24-15-27(42-16-17-5-3-2-4-6-17)28-22(9-11-38)39-12-10-23(28)40-24/h2-8,10,12-15H,9,16H2,1H3.
What are the key properties of 2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile?
2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile has a molecular weight of 595.50 g/mol, XLogP of 8.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)phenyl]-4-phenylmethoxy-1,6-naphthyridin-5-yl]acetonitrile is sourced from PubChem (CID 169249822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).