7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine

C20H17Cl2F3N4O2 — CID 139395618

IUPAC7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)cc3c(N3CC(C(F)(F)F)C3)n2)c1Cl
InChIInChI=1S/C20H17Cl2F3N4O2/c1-30-13-5-14(31-2)18(22)16(17(13)21)12-3-9-6-27-15(26)4-11(9)19(28-12)29-7-10(8-29)20(23,24)25/h3-6,10H,7-8H2,1-2H3,(H2,26,27)
InChIKeyYWUQJJKKEPSYRR-UHFFFAOYSA-N
MW473.28 g/mol
LogP5.20
Rot. Bonds4

About 7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine

7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine (PubChem CID 139395618) has the molecular formula C20H17Cl2F3N4O2 and a molecular weight of 473.28 g/mol. Its IUPAC name is 7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine
PubChem CID139395618
Molecular FormulaC20H17Cl2F3N4O2
Molecular Weight473.28 g/mol
Exact Mass472.07
IUPAC Name7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(N)cc3c(N3CC(C(F)(F)F)C3)n2)c1Cl
InChIInChI=1S/C20H17Cl2F3N4O2/c1-30-13-5-14(31-2)18(22)16(17(13)21)12-3-9-6-27-15(26)4-11(9)19(28-12)29-7-10(8-29)20(23,24)25/h3-6,10H,7-8H2,1-2H3,(H2,26,27)
InChIKeyYWUQJJKKEPSYRR-UHFFFAOYSA-N
XLogP5.20
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.28
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(3-methoxyazetidin-1-yl)-2,6-naphthyridine
CID 139385138
8-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine
CID 167095704
1-(3-azabicyclo[3.1.0]hexan-3-yl)-7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
CID 139395439
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 139396169
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine
CID 142381099
4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine
CID 135181397
1-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-[3-(trifluoromethyl)azetidin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]but-3-en-2-one
CID 157346884
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
CID 139395802
1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-yl]-N,N-dimethylazetidin-3-amine
CID 139385249
1-[2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-3-methylazetidine-3-carbonitrile
CID 139396013
8-(azetidin-1-yl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidine
CID 139385562
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-(3,3-difluoroazetidin-1-yl)-2-methylsulfanylpyrido[3,4-d]pyrimidine
CID 135180933

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine?
The IUPAC name of 7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine (CID 139395618) is 7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine.
What is the SMILES notation for 7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine?
The canonical SMILES for 7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine is COc1cc(OC)c(Cl)c(-c2cc3cnc(N)cc3c(N3CC(C(F)(F)F)C3)n2)c1Cl.
What is the InChIKey of 7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine?
The InChIKey is YWUQJJKKEPSYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F3N4O2/c1-30-13-5-14(31-2)18(22)16(17(13)21)12-3-9-6-27-15(26)4-11(9)19(28-12)29-7-10(8-29)20(23,24)25/h3-6,10H,7-8H2,1-2H3,(H2,26,27).
What are the key properties of 7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine?
7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine has a molecular weight of 473.28 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)azetidin-1-yl]-2,6-naphthyridin-3-amine is sourced from PubChem (CID 139395618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).