1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea

C30H24N8O3 — CID 67962297

IUPAC1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea
SMILESC=C(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4nc(N)c(=O)[nH]c34)c3ccccc23)n(-c2ccccc2)n1
InChIInChI=1S/C30H24N8O3/c1-17(2)22-16-25(38(37-22)18-8-4-3-5-9-18)34-30(40)33-21-12-13-23(20-11-7-6-10-19(20)21)41-24-14-15-32-28-26(24)35-29(39)27(31)36-28/h3-16H,1H2,2H3,(H,35,39)(H2,31,32,36)(H2,33,34,40)
InChIKeyMKWHVFMTKRQBIK-UHFFFAOYSA-N
MW544.58 g/mol
LogP5.71
Rot. Bonds6

About 1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea

1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea (PubChem CID 67962297) has the molecular formula C30H24N8O3 and a molecular weight of 544.58 g/mol. Its IUPAC name is 1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea
PubChem CID67962297
Molecular FormulaC30H24N8O3
Molecular Weight544.58 g/mol
Exact Mass544.20
IUPAC Name1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea
SMILESC=C(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4nc(N)c(=O)[nH]c34)c3ccccc23)n(-c2ccccc2)n1
InChIInChI=1S/C30H24N8O3/c1-17(2)22-16-25(38(37-22)18-8-4-3-5-9-18)34-30(40)33-21-12-13-23(20-11-7-6-10-19(20)21)41-24-14-15-32-28-26(24)35-29(39)27(31)36-28/h3-16H,1H2,2H3,(H,35,39)(H2,31,32,36)(H2,33,34,40)
InChIKeyMKWHVFMTKRQBIK-UHFFFAOYSA-N
XLogP5.71
TPSA152.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.58
LogP ≤ 55.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea?
The IUPAC name of 1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea (CID 67962297) is 1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea.
What is the SMILES notation for 1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea?
The canonical SMILES for 1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea is C=C(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4nc(N)c(=O)[nH]c34)c3ccccc23)n(-c2ccccc2)n1.
What is the InChIKey of 1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea?
The InChIKey is MKWHVFMTKRQBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N8O3/c1-17(2)22-16-25(38(37-22)18-8-4-3-5-9-18)34-30(40)33-21-12-13-23(20-11-7-6-10-19(20)21)41-24-14-15-32-28-26(24)35-29(39)27(31)36-28/h3-16H,1H2,2H3,(H,35,39)(H2,31,32,36)(H2,33,34,40).
What are the key properties of 1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea?
1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea has a molecular weight of 544.58 g/mol, XLogP of 5.71, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-(1-phenyl-3-prop-1-en-2-ylpyrazol-5-yl)urea is sourced from PubChem (CID 67962297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).