1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

C17H16ClN5O2 — CID 58881816

IUPAC1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(Cl)cc3OC)nc2n1
InChIInChI=1S/C17H16ClN5O2/c1-3-19-17(24)23-15-7-6-12-16(22-15)21-13(9-20-12)11-5-4-10(18)8-14(11)25-2/h4-9H,3H2,1-2H3,(H2,19,21,22,23,24)
InChIKeyFEWYNEPNJCINKR-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.50
Rot. Bonds4

About 1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (PubChem CID 58881816) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
PubChem CID58881816
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(Cl)cc3OC)nc2n1
InChIInChI=1S/C17H16ClN5O2/c1-3-19-17(24)23-15-7-6-12-16(22-15)21-13(9-20-12)11-5-4-10(18)8-14(11)25-2/h4-9H,3H2,1-2H3,(H2,19,21,22,23,24)
InChIKeyFEWYNEPNJCINKR-UHFFFAOYSA-N
XLogP3.50
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The IUPAC name of 1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (CID 58881816) is 1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.
What is the SMILES notation for 1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The canonical SMILES for 1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is CCNC(=O)Nc1ccc2ncc(-c3ccc(Cl)cc3OC)nc2n1.
What is the InChIKey of 1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The InChIKey is FEWYNEPNJCINKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-3-19-17(24)23-15-7-6-12-16(22-15)21-13(9-20-12)11-5-4-10(18)8-14(11)25-2/h4-9H,3H2,1-2H3,(H2,19,21,22,23,24).
What are the key properties of 1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea has a molecular weight of 357.80 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is sourced from PubChem (CID 58881816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).