1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea

C19H21N5O4 — CID 88994158

IUPAC1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc2ncc(-c3ccc(C(OC)OCC)o3)nc2n1
InChIInChI=1S/C19H21N5O4/c1-4-10-20-19(25)24-16-9-6-12-17(23-16)22-13(11-21-12)14-7-8-15(28-14)18(26-3)27-5-2/h4,6-9,11,18H,1,5,10H2,2-3H3,(H2,20,22,23,24,25)
InChIKeyZRDZTVSQLSSGNX-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.27
Rot. Bonds8

About 1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea

1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea (PubChem CID 88994158) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea
PubChem CID88994158
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc2ncc(-c3ccc(C(OC)OCC)o3)nc2n1
InChIInChI=1S/C19H21N5O4/c1-4-10-20-19(25)24-16-9-6-12-17(23-16)22-13(11-21-12)14-7-8-15(28-14)18(26-3)27-5-2/h4,6-9,11,18H,1,5,10H2,2-3H3,(H2,20,22,23,24,25)
InChIKeyZRDZTVSQLSSGNX-UHFFFAOYSA-N
XLogP3.27
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea?
The IUPAC name of 1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea (CID 88994158) is 1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea?
The canonical SMILES for 1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc2ncc(-c3ccc(C(OC)OCC)o3)nc2n1.
What is the InChIKey of 1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea?
The InChIKey is ZRDZTVSQLSSGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-4-10-20-19(25)24-16-9-6-12-17(23-16)22-13(11-21-12)14-7-8-15(28-14)18(26-3)27-5-2/h4,6-9,11,18H,1,5,10H2,2-3H3,(H2,20,22,23,24,25).
What are the key properties of 1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea?
1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea has a molecular weight of 383.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea is sourced from PubChem (CID 88994158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).