6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

C23H16F6N6O2 — CID 58645524

IUPAC6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(N)=O)cc3C(F)(F)F)cc2n1
InChIInChI=1S/C23H16F6N6O2/c1-37-10-13-6-17(35-19-9-31-18(8-32-19)23(27,28)29)14-3-2-11(5-16(14)34-13)20-15(22(24,25)26)4-12(7-33-20)21(30)36/h2-9H,10H2,1H3,(H2,30,36)(H,32,34,35)
InChIKeyHZNJMBIQHZSIQY-UHFFFAOYSA-N
MW522.41 g/mol
LogP5.11
Rot. Bonds6

About 6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 58645524) has the molecular formula C23H16F6N6O2 and a molecular weight of 522.41 g/mol. Its IUPAC name is 6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID58645524
Molecular FormulaC23H16F6N6O2
Molecular Weight522.41 g/mol
Exact Mass522.12
IUPAC Name6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(N)=O)cc3C(F)(F)F)cc2n1
InChIInChI=1S/C23H16F6N6O2/c1-37-10-13-6-17(35-19-9-31-18(8-32-19)23(27,28)29)14-3-2-11(5-16(14)34-13)20-15(22(24,25)26)4-12(7-33-20)21(30)36/h2-9H,10H2,1H3,(H2,30,36)(H,32,34,35)
InChIKeyHZNJMBIQHZSIQY-UHFFFAOYSA-N
XLogP5.11
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.41
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 58645524) is 6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is COCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(N)=O)cc3C(F)(F)F)cc2n1.
What is the InChIKey of 6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HZNJMBIQHZSIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N6O2/c1-37-10-13-6-17(35-19-9-31-18(8-32-19)23(27,28)29)14-3-2-11(5-16(14)34-13)20-15(22(24,25)26)4-12(7-33-20)21(30)36/h2-9H,10H2,1H3,(H2,30,36)(H,32,34,35).
What are the key properties of 6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 522.41 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methoxymethyl)-4-[[5-(trifluoromethyl)pyrazin-2-yl]amino]quinolin-7-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58645524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).