10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine

C18H8Cl3F3N4S — CID 59436039

IUPAC10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine
SMILESFC(F)(F)Sc1cc(Cl)c(Nc2nc3ccncc3c3c(Cl)nccc23)c(Cl)c1
InChIInChI=1S/C18H8Cl3F3N4S/c19-11-5-8(29-18(22,23)24)6-12(20)15(11)28-17-9-1-4-26-16(21)14(9)10-7-25-3-2-13(10)27-17/h1-7H,(H,27,28)
InChIKeyXSJPGUNMENLPAG-UHFFFAOYSA-N
MW475.71 g/mol
LogP7.49
Rot. Bonds3

About 10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine

10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine (PubChem CID 59436039) has the molecular formula C18H8Cl3F3N4S and a molecular weight of 475.71 g/mol. Its IUPAC name is 10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine.

Molecular Properties

Compound Name10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine
PubChem CID59436039
Molecular FormulaC18H8Cl3F3N4S
Molecular Weight475.71 g/mol
Exact Mass473.95
IUPAC Name10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine
SMILESFC(F)(F)Sc1cc(Cl)c(Nc2nc3ccncc3c3c(Cl)nccc23)c(Cl)c1
InChIInChI=1S/C18H8Cl3F3N4S/c19-11-5-8(29-18(22,23)24)6-12(20)15(11)28-17-9-1-4-26-16(21)14(9)10-7-25-3-2-13(10)27-17/h1-7H,(H,27,28)
InChIKeyXSJPGUNMENLPAG-UHFFFAOYSA-N
XLogP7.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.71
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(3-Chloropyridin-2-yl)-5,6,7,8-tetrahydro-N-(4-(trifluoromethylsulfonyl) phenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 59346503
8-[(6-chloropyridin-3-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-amine
CID 20636423
7-(3-chloro-5-methylpyridin-2-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]quinolin-4-amine
CID 58645530
7-(3-chloro-6-methylpyridin-2-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]quinolin-4-amine
CID 58645723
6-[2,6-dichloro-4-(trifluoromethylsulfinyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 59435967
6-({2,6-Dichloro-4-[(trifluoromethyl)thio]phenyl}amino)pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one
CID 59436013
N-{2,6-dichloro-4-[(trifluoromethyl)thio]phenyl}-10-methoxypyrido[4,3-c]-1,6-naphthyridin-6-amine
CID 59436077
10-chloro-N-(2-chloro-4,6-difluorophenyl)pyrido[4,3-c]-1,6-naphthyridin-6-amine
CID 59436106
8-chloro-4-N-(3-piperidin-1-ylpropyl)-2-N-[4-(trifluoromethyl)pyridin-2-yl]quinoline-2,4-diamine
CID 118658894
7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 142909000
7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfinyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 143077990
8-(2-Chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine
CID 154608540

Frequently Asked Questions

What is the IUPAC name of 10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine?
The IUPAC name of 10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine (CID 59436039) is 10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine.
What is the SMILES notation for 10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine?
The canonical SMILES for 10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine is FC(F)(F)Sc1cc(Cl)c(Nc2nc3ccncc3c3c(Cl)nccc23)c(Cl)c1.
What is the InChIKey of 10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine?
The InChIKey is XSJPGUNMENLPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl3F3N4S/c19-11-5-8(29-18(22,23)24)6-12(20)15(11)28-17-9-1-4-26-16(21)14(9)10-7-25-3-2-13(10)27-17/h1-7H,(H,27,28).
What are the key properties of 10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine?
10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine has a molecular weight of 475.71 g/mol, XLogP of 7.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-N-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]pyrido[4,3-c][1,6]naphthyridin-6-amine is sourced from PubChem (CID 59436039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).