1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

C19H20FN5O — CID 143454912

IUPAC1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESC=CC(/C=C/c1cnc2ccc(NC(=O)NCC)nc2n1)=C\C=C(/C)F
InChIInChI=1S/C19H20FN5O/c1-4-14(7-6-13(3)20)8-9-15-12-22-16-10-11-17(24-18(16)23-15)25-19(26)21-5-2/h4,6-12H,1,5H2,2-3H3,(H2,21,23,24,25,26)/b9-8+,13-6+,14-7+
InChIKeyQZJZCYWJJQIKRH-SJXFKDBVSA-N
MW353.40 g/mol
LogP4.17
Rot. Bonds6

About 1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (PubChem CID 143454912) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
PubChem CID143454912
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESC=CC(/C=C/c1cnc2ccc(NC(=O)NCC)nc2n1)=C\C=C(/C)F
InChIInChI=1S/C19H20FN5O/c1-4-14(7-6-13(3)20)8-9-15-12-22-16-10-11-17(24-18(16)23-15)25-19(26)21-5-2/h4,6-12H,1,5H2,2-3H3,(H2,21,23,24,25,26)/b9-8+,13-6+,14-7+
InChIKeyQZJZCYWJJQIKRH-SJXFKDBVSA-N
XLogP4.17
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 89036130
1-ethyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70814986
1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881935
1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730758
1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 25151707
1-[3-(2,6-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881943
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528
1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881777
1-ethyl-3-[3-(pyridin-3-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881916
1-[3-[3-(dimethylamino)prop-1-ynyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 16666579
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610
1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 25150944

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The IUPAC name of 1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (CID 143454912) is 1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.
What is the SMILES notation for 1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The canonical SMILES for 1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is C=CC(/C=C/c1cnc2ccc(NC(=O)NCC)nc2n1)=C\C=C(/C)F.
What is the InChIKey of 1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The InChIKey is QZJZCYWJJQIKRH-SJXFKDBVSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-4-14(7-6-13(3)20)8-9-15-12-22-16-10-11-17(24-18(16)23-15)25-19(26)21-5-2/h4,6-12H,1,5H2,2-3H3,(H2,21,23,24,25,26)/b9-8+,13-6+,14-7+.
What are the key properties of 1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea has a molecular weight of 353.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1E,3E,5E)-3-ethenyl-6-fluorohepta-1,3,5-trienyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is sourced from PubChem (CID 143454912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).