7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

C19H10F6N6 — CID 11690649

IUPAC7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4nnccc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C19H10F6N6/c20-18(21,22)10-1-4-15(27-9-10)29-13-6-7-26-17-11(13)2-3-14(30-17)16-12(19(23,24)25)5-8-28-31-16/h1-9H,(H,26,27,29,30)
InChIKeyCFSIXJDTQZHPLR-UHFFFAOYSA-N
MW436.32 g/mol
LogP5.26
Rot. Bonds3

About 7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 11690649) has the molecular formula C19H10F6N6 and a molecular weight of 436.32 g/mol. Its IUPAC name is 7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID11690649
Molecular FormulaC19H10F6N6
Molecular Weight436.32 g/mol
Exact Mass436.09
IUPAC Name7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4nnccc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C19H10F6N6/c20-18(21,22)10-1-4-15(27-9-10)29-13-6-7-26-17-11(13)2-3-14(30-17)16-12(19(23,24)25)5-8-28-31-16/h1-9H,(H,26,27,29,30)
InChIKeyCFSIXJDTQZHPLR-UHFFFAOYSA-N
XLogP5.26
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.32
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (CID 11690649) is 7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is FC(F)(F)c1ccc(Nc2ccnc3nc(-c4nnccc4C(F)(F)F)ccc23)nc1.
What is the InChIKey of 7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is CFSIXJDTQZHPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F6N6/c20-18(21,22)10-1-4-15(27-9-10)29-13-6-7-26-17-11(13)2-3-14(30-17)16-12(19(23,24)25)5-8-28-31-16/h1-9H,(H,26,27,29,30).
What are the key properties of 7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 436.32 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 11690649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).