5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

C26H18F3N5O — CID 59631426

IUPAC5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cc(-c2cncc(Nc3c(C)c(-c4ccccn4)nc4cc(F)cc(F)c34)c2)c(F)cn1
InChIInChI=1S/C26H18F3N5O/c1-14-25(21-5-3-4-6-31-21)34-22-9-16(27)8-19(28)24(22)26(14)33-17-7-15(11-30-12-17)18-10-23(35-2)32-13-20(18)29/h3-13H,1-2H3,(H,33,34)
InChIKeyGLZYVSFEXSCTCD-UHFFFAOYSA-N
MW473.46 g/mol
LogP6.23
Rot. Bonds5

About 5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631426) has the molecular formula C26H18F3N5O and a molecular weight of 473.46 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631426
Molecular FormulaC26H18F3N5O
Molecular Weight473.46 g/mol
Exact Mass473.15
IUPAC Name5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cc(-c2cncc(Nc3c(C)c(-c4ccccn4)nc4cc(F)cc(F)c34)c2)c(F)cn1
InChIInChI=1S/C26H18F3N5O/c1-14-25(21-5-3-4-6-31-21)34-22-9-16(27)8-19(28)24(22)26(14)33-17-7-15(11-30-12-17)18-10-23(35-2)32-13-20(18)29/h3-13H,1-2H3,(H,33,34)
InChIKeyGLZYVSFEXSCTCD-UHFFFAOYSA-N
XLogP6.23
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.46
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631426) is 5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1cc(-c2cncc(Nc3c(C)c(-c4ccccn4)nc4cc(F)cc(F)c34)c2)c(F)cn1.
What is the InChIKey of 5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is GLZYVSFEXSCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O/c1-14-25(21-5-3-4-6-31-21)34-22-9-16(27)8-19(28)24(22)26(14)33-17-7-15(11-30-12-17)18-10-23(35-2)32-13-20(18)29/h3-13H,1-2H3,(H,33,34).
What are the key properties of 5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 473.46 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[5-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).