6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine

C23H20F6N6OS — CID 59705059

IUPAC6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCNc1nc(Nc2cc(COC)nc3nc(-c4ncsc4C(F)(F)F)ccc23)ccc1C(F)(F)F
InChIInChI=1S/C23H20F6N6OS/c1-3-8-30-21-14(22(24,25)26)5-7-17(35-21)33-16-9-12(10-36-2)32-20-13(16)4-6-15(34-20)18-19(23(27,28)29)37-11-31-18/h4-7,9,11H,3,8,10H2,1-2H3,(H2,30,32,33,34,35)
InChIKeyRXFCBWAMZGGYEV-UHFFFAOYSA-N
MW542.51 g/mol
LogP6.90
Rot. Bonds8

About 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine

6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 59705059) has the molecular formula C23H20F6N6OS and a molecular weight of 542.51 g/mol. Its IUPAC name is 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID59705059
Molecular FormulaC23H20F6N6OS
Molecular Weight542.51 g/mol
Exact Mass542.13
IUPAC Name6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCNc1nc(Nc2cc(COC)nc3nc(-c4ncsc4C(F)(F)F)ccc23)ccc1C(F)(F)F
InChIInChI=1S/C23H20F6N6OS/c1-3-8-30-21-14(22(24,25)26)5-7-17(35-21)33-16-9-12(10-36-2)32-20-13(16)4-6-15(34-20)18-19(23(27,28)29)37-11-31-18/h4-7,9,11H,3,8,10H2,1-2H3,(H2,30,32,33,34,35)
InChIKeyRXFCBWAMZGGYEV-UHFFFAOYSA-N
XLogP6.90
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.51
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine (CID 59705059) is 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine is CCCNc1nc(Nc2cc(COC)nc3nc(-c4ncsc4C(F)(F)F)ccc23)ccc1C(F)(F)F.
What is the InChIKey of 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is RXFCBWAMZGGYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N6OS/c1-3-8-30-21-14(22(24,25)26)5-7-17(35-21)33-16-9-12(10-36-2)32-20-13(16)4-6-15(34-20)18-19(23(27,28)29)37-11-31-18/h4-7,9,11H,3,8,10H2,1-2H3,(H2,30,32,33,34,35).
What are the key properties of 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 542.51 g/mol, XLogP of 6.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 59705059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).