4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol

C20H15FN4O — CID 135693252

IUPAC4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nc3n2)cc1
InChIInChI=1S/C20H15FN4O/c21-15-3-1-2-13(10-15)11-23-19-9-8-17-20(25-19)24-18(12-22-17)14-4-6-16(26)7-5-14/h1-10,12,26H,11H2,(H,23,24,25)
InChIKeyINYVOZRUKRVMOX-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.15
Rot. Bonds4

About 4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol

4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol (PubChem CID 135693252) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol
PubChem CID135693252
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nc3n2)cc1
InChIInChI=1S/C20H15FN4O/c21-15-3-1-2-13(10-15)11-23-19-9-8-17-20(25-19)24-18(12-22-17)14-4-6-16(26)7-5-14/h1-10,12,26H,11H2,(H,23,24,25)
InChIKeyINYVOZRUKRVMOX-UHFFFAOYSA-N
XLogP4.15
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol?
The IUPAC name of 4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol (CID 135693252) is 4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol is Oc1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nc3n2)cc1.
What is the InChIKey of 4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol?
The InChIKey is INYVOZRUKRVMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-15-3-1-2-13(10-15)11-23-19-9-8-17-20(25-19)24-18(12-22-17)14-4-6-16(26)7-5-14/h1-10,12,26H,11H2,(H,23,24,25).
What are the key properties of 4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol?
4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol has a molecular weight of 346.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol is sourced from PubChem (CID 135693252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).