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

C22H19F6N7OS — CID 59705091

IUPAC6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)thiadiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCNc1nc(Nc2cc(COC)nc3nc(-c4nnsc4C(F)(F)F)ccc23)ccc1C(F)(F)F
InChIInChI=1S/C22H19F6N7OS/c1-3-8-29-20-13(21(23,24)25)5-7-16(33-20)31-15-9-11(10-36-2)30-19-12(15)4-6-14(32-19)17-18(22(26,27)28)37-35-34-17/h4-7,9H,3,8,10H2,1-2H3,(H2,29,30,31,32,33)
InChIKeyGREYWKRBYBVMRR-UHFFFAOYSA-N
MW543.50 g/mol
LogP6.29
Rot. Bonds8

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

6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)thiadiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 59705091) has the molecular formula C22H19F6N7OS and a molecular weight of 543.50 g/mol. Its IUPAC name is 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)thiadiazol-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)thiadiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID59705091
Molecular FormulaC22H19F6N7OS
Molecular Weight543.50 g/mol
Exact Mass543.13
IUPAC Name6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)thiadiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCNc1nc(Nc2cc(COC)nc3nc(-c4nnsc4C(F)(F)F)ccc23)ccc1C(F)(F)F
InChIInChI=1S/C22H19F6N7OS/c1-3-8-29-20-13(21(23,24)25)5-7-16(33-20)31-15-9-11(10-36-2)30-19-12(15)4-6-14(32-19)17-18(22(26,27)28)37-35-34-17/h4-7,9H,3,8,10H2,1-2H3,(H2,29,30,31,32,33)
InChIKeyGREYWKRBYBVMRR-UHFFFAOYSA-N
XLogP6.29
TPSA97.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.50
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-(2-methylpropoxymethyl)-N-(5-methylpyridin-2-yl)-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-amine
CID 57561024
2-[2-(dimethylamino)ethoxymethyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-amine
CID 57561030
2-(2-methylpropoxymethyl)-N-pyridin-2-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-amine
CID 57561046
N,N-dimethyl-4-[[2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-yl]amino]benzenesulfonamide
CID 57561051
N-(4-fluorophenyl)-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-amine
CID 57561066
2-(3-methylbutoxymethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-amine
CID 57561084
2-(propan-2-yloxymethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-amine
CID 57561085
N-(4-fluorophenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-amine
CID 57561091
2-methoxymethyl-7-[3-(trifluoromethyl) pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-[1,8]naphthyridin-4-amine
CID 57561092
2-(propoxymethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-amine
CID 57561097
7-(3-fluoropyridin-2-yl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine
CID 57561125
2-(1-methoxyethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-amine
CID 57561130

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)thiadiazol-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)thiadiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine (CID 59705091) is 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)thiadiazol-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)thiadiazol-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)thiadiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine is CCCNc1nc(Nc2cc(COC)nc3nc(-c4nnsc4C(F)(F)F)ccc23)ccc1C(F)(F)F.
What is the InChIKey of 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)thiadiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is GREYWKRBYBVMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F6N7OS/c1-3-8-29-20-13(21(23,24)25)5-7-16(33-20)31-15-9-11(10-36-2)30-19-12(15)4-6-14(32-19)17-18(22(26,27)28)37-35-34-17/h4-7,9H,3,8,10H2,1-2H3,(H2,29,30,31,32,33).
What are the key properties of 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)thiadiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)thiadiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 543.50 g/mol, XLogP of 6.29, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(methoxymethyl)-7-[5-(trifluoromethyl)thiadiazol-4-yl]-1,8-naphthyridin-4-yl]-2-N-propyl-3-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 59705091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).