1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea

C16H12Cl3N5O — CID 25151141

IUPAC1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3cc(Cl)cc(Cl)c3Cl)nc2n1
InChIInChI=1S/C16H12Cl3N5O/c1-2-20-16(25)24-13-4-3-11-15(23-13)22-12(7-21-11)9-5-8(17)6-10(18)14(9)19/h3-7H,2H2,1H3,(H2,20,22,23,24,25)
InChIKeyICRLISBYOAOWDP-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.79
Rot. Bonds3

About 1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea

1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 25151141) has the molecular formula C16H12Cl3N5O and a molecular weight of 396.67 g/mol. Its IUPAC name is 1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID25151141
Molecular FormulaC16H12Cl3N5O
Molecular Weight396.67 g/mol
Exact Mass395.01
IUPAC Name1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3cc(Cl)cc(Cl)c3Cl)nc2n1
InChIInChI=1S/C16H12Cl3N5O/c1-2-20-16(25)24-13-4-3-11-15(23-13)22-12(7-21-11)9-5-8(17)6-10(18)14(9)19/h3-7H,2H2,1H3,(H2,20,22,23,24,25)
InChIKeyICRLISBYOAOWDP-UHFFFAOYSA-N
XLogP4.79
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 25150944
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528
1-[3-(2,6-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881943
1-ethyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70814986
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610
1-ethyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70815127
1-(3-dibenzofuran-4-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea
CID 25159088
1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881777
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
[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate
CID 16727156

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 25151141) is 1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(-c3cc(Cl)cc(Cl)c3Cl)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is ICRLISBYOAOWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N5O/c1-2-20-16(25)24-13-4-3-11-15(23-13)22-12(7-21-11)9-5-8(17)6-10(18)14(9)19/h3-7H,2H2,1H3,(H2,20,22,23,24,25).
What are the key properties of 1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 396.67 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 25151141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).