2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine

C26H17FN6O — CID 168838860

IUPAC2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine
SMILESFc1ccc2nccc(Nc3cccc(-c4nc5ncc(Nc6ccncc6)cc5o4)c3)c2c1
InChIInChI=1S/C26H17FN6O/c27-17-4-5-22-21(13-17)23(8-11-29-22)32-19-3-1-2-16(12-19)26-33-25-24(34-26)14-20(15-30-25)31-18-6-9-28-10-7-18/h1-15H,(H,28,31)(H,29,32)
InChIKeySSVWRPAUSZKFFR-UHFFFAOYSA-N
MW448.46 g/mol
LogP6.46
Rot. Bonds5

About 2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine

2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine (PubChem CID 168838860) has the molecular formula C26H17FN6O and a molecular weight of 448.46 g/mol. Its IUPAC name is 2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine
PubChem CID168838860
Molecular FormulaC26H17FN6O
Molecular Weight448.46 g/mol
Exact Mass448.14
IUPAC Name2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine
SMILESFc1ccc2nccc(Nc3cccc(-c4nc5ncc(Nc6ccncc6)cc5o4)c3)c2c1
InChIInChI=1S/C26H17FN6O/c27-17-4-5-22-21(13-17)23(8-11-29-22)32-19-3-1-2-16(12-19)26-33-25-24(34-26)14-20(15-30-25)31-18-6-9-28-10-7-18/h1-15H,(H,28,31)(H,29,32)
InChIKeySSVWRPAUSZKFFR-UHFFFAOYSA-N
XLogP6.46
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.46
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine (CID 168838860) is 2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine is Fc1ccc2nccc(Nc3cccc(-c4nc5ncc(Nc6ccncc6)cc5o4)c3)c2c1.
What is the InChIKey of 2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The InChIKey is SSVWRPAUSZKFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN6O/c27-17-4-5-22-21(13-17)23(8-11-29-22)32-19-3-1-2-16(12-19)26-33-25-24(34-26)14-20(15-30-25)31-18-6-9-28-10-7-18/h1-15H,(H,28,31)(H,29,32).
What are the key properties of 2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine?
2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine has a molecular weight of 448.46 g/mol, XLogP of 6.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 168838860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).