5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid

C20H12ClF3N6O2 — CID 58645736

IUPAC5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
SMILESCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(=O)O)cc3Cl)nc2n1
InChIInChI=1S/C20H12ClF3N6O2/c1-9-4-14(29-16-8-25-15(7-26-16)20(22,23)24)11-2-3-13(30-18(11)28-9)17-12(21)5-10(6-27-17)19(31)32/h2-8H,1H3,(H,31,32)(H,26,28,29,30)
InChIKeyKMVHSFYUAUELCO-UHFFFAOYSA-N
MW460.80 g/mol
LogP4.90
Rot. Bonds4

About 5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid

5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid (PubChem CID 58645736) has the molecular formula C20H12ClF3N6O2 and a molecular weight of 460.80 g/mol. Its IUPAC name is 5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
PubChem CID58645736
Molecular FormulaC20H12ClF3N6O2
Molecular Weight460.80 g/mol
Exact Mass460.07
IUPAC Name5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
SMILESCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(=O)O)cc3Cl)nc2n1
InChIInChI=1S/C20H12ClF3N6O2/c1-9-4-14(29-16-8-25-15(7-26-16)20(22,23)24)11-2-3-13(30-18(11)28-9)17-12(21)5-10(6-27-17)19(31)32/h2-8H,1H3,(H,31,32)(H,26,28,29,30)
InChIKeyKMVHSFYUAUELCO-UHFFFAOYSA-N
XLogP4.90
TPSA113.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.80
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid (CID 58645736) is 5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid is Cc1cc(Nc2cnc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(=O)O)cc3Cl)nc2n1.
What is the InChIKey of 5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid?
The InChIKey is KMVHSFYUAUELCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N6O2/c1-9-4-14(29-16-8-25-15(7-26-16)20(22,23)24)11-2-3-13(30-18(11)28-9)17-12(21)5-10(6-27-17)19(31)32/h2-8H,1H3,(H,31,32)(H,26,28,29,30).
What are the key properties of 5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid?
5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid has a molecular weight of 460.80 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[7-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58645736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).