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

C17H17ClN6O2 — CID 58881810

IUPAC1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(OC)c(Cl)c3)nc2n1
InChIInChI=1S/C17H17ClN6O2/c1-3-19-17(25)24-14-7-5-12-16(22-14)23-15(9-20-12)21-10-4-6-13(26-2)11(18)8-10/h4-9H,3H2,1-2H3,(H3,19,21,22,23,24,25)
InChIKeyKJGDMGQFNHYEJL-UHFFFAOYSA-N
MW372.82 g/mol
LogP3.57
Rot. Bonds5

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

1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (PubChem CID 58881810) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
PubChem CID58881810
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(OC)c(Cl)c3)nc2n1
InChIInChI=1S/C17H17ClN6O2/c1-3-19-17(25)24-14-7-5-12-16(22-14)23-15(9-20-12)21-10-4-6-13(26-2)11(18)8-10/h4-9H,3H2,1-2H3,(H3,19,21,22,23,24,25)
InChIKeyKJGDMGQFNHYEJL-UHFFFAOYSA-N
XLogP3.57
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The IUPAC name of 1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (CID 58881810) is 1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.
What is the SMILES notation for 1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The canonical SMILES for 1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is CCNC(=O)Nc1ccc2ncc(Nc3ccc(OC)c(Cl)c3)nc2n1.
What is the InChIKey of 1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The InChIKey is KJGDMGQFNHYEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-3-19-17(25)24-14-7-5-12-16(22-14)23-15(9-20-12)21-10-4-6-13(26-2)11(18)8-10/h4-9H,3H2,1-2H3,(H3,19,21,22,23,24,25).
What are the key properties of 1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea has a molecular weight of 372.82 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is sourced from PubChem (CID 58881810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).