5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid

C20H10F6N6O2 — CID 58645594

IUPAC5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc3c(Nc4ncc(C(F)(F)F)cn4)ccnc3n2)c(C(F)(F)F)c1
InChIInChI=1S/C20H10F6N6O2/c21-19(22,23)10-7-29-18(30-8-10)32-13-3-4-27-16-11(13)1-2-14(31-16)15-12(20(24,25)26)5-9(6-28-15)17(33)34/h1-8H,(H,33,34)(H,27,29,30,31,32)
InChIKeyHMHCDJJZPUABJJ-UHFFFAOYSA-N
MW480.33 g/mol
LogP4.96
Rot. Bonds4

About 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid

5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid (PubChem CID 58645594) has the molecular formula C20H10F6N6O2 and a molecular weight of 480.33 g/mol. Its IUPAC name is 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
PubChem CID58645594
Molecular FormulaC20H10F6N6O2
Molecular Weight480.33 g/mol
Exact Mass480.08
IUPAC Name5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc3c(Nc4ncc(C(F)(F)F)cn4)ccnc3n2)c(C(F)(F)F)c1
InChIInChI=1S/C20H10F6N6O2/c21-19(22,23)10-7-29-18(30-8-10)32-13-3-4-27-16-11(13)1-2-14(31-16)15-12(20(24,25)26)5-9(6-28-15)17(33)34/h1-8H,(H,33,34)(H,27,29,30,31,32)
InChIKeyHMHCDJJZPUABJJ-UHFFFAOYSA-N
XLogP4.96
TPSA113.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.33
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid (CID 58645594) is 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid is O=C(O)c1cnc(-c2ccc3c(Nc4ncc(C(F)(F)F)cn4)ccnc3n2)c(C(F)(F)F)c1.
What is the InChIKey of 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid?
The InChIKey is HMHCDJJZPUABJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F6N6O2/c21-19(22,23)10-7-29-18(30-8-10)32-13-3-4-27-16-11(13)1-2-14(31-16)15-12(20(24,25)26)5-9(6-28-15)17(33)34/h1-8H,(H,33,34)(H,27,29,30,31,32).
What are the key properties of 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid?
5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid has a molecular weight of 480.33 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58645594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).