8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one

C20H14F2N4O2 — CID 162556816

IUPAC8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one
SMILESC=CC(F)(F)c1nc2c(Oc3ccc(N)c4ccccc34)ccnc2[nH]c1=O
InChIInChI=1S/C20H14F2N4O2/c1-2-20(21,22)17-19(27)26-18-16(25-17)15(9-10-24-18)28-14-8-7-13(23)11-5-3-4-6-12(11)14/h2-10H,1,23H2,(H,24,26,27)
InChIKeyOAYFAQUFHQKZRU-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.12
Rot. Bonds4

About 8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one

8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 162556816) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID162556816
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one
SMILESC=CC(F)(F)c1nc2c(Oc3ccc(N)c4ccccc34)ccnc2[nH]c1=O
InChIInChI=1S/C20H14F2N4O2/c1-2-20(21,22)17-19(27)26-18-16(25-17)15(9-10-24-18)28-14-8-7-13(23)11-5-3-4-6-12(11)14/h2-10H,1,23H2,(H,24,26,27)
InChIKeyOAYFAQUFHQKZRU-UHFFFAOYSA-N
XLogP4.12
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one (CID 162556816) is 8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one is C=CC(F)(F)c1nc2c(Oc3ccc(N)c4ccccc34)ccnc2[nH]c1=O.
What is the InChIKey of 8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is OAYFAQUFHQKZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-2-20(21,22)17-19(27)26-18-16(25-17)15(9-10-24-18)28-14-8-7-13(23)11-5-3-4-6-12(11)14/h2-10H,1,23H2,(H,24,26,27).
What are the key properties of 8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one?
8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 380.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminonaphthalen-1-yl)oxy-2-(1,1-difluoroprop-2-enyl)-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 162556816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).