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

C20H25N5O2Si — CID 70814920

IUPAC1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESC[Si](C)(C)c1ccc(-c2cnc3ccc(NC(=O)NC4CCCC4)nc3n2)o1
InChIInChI=1S/C20H25N5O2Si/c1-28(2,3)18-11-9-16(27-18)15-12-21-14-8-10-17(24-19(14)23-15)25-20(26)22-13-6-4-5-7-13/h8-13H,4-7H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyYKJLXZDVEMMQAZ-UHFFFAOYSA-N
MW395.54 g/mol
LogP3.89
Rot. Bonds4

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

1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 70814920) has the molecular formula C20H25N5O2Si and a molecular weight of 395.54 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID70814920
Molecular FormulaC20H25N5O2Si
Molecular Weight395.54 g/mol
Exact Mass395.18
IUPAC Name1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESC[Si](C)(C)c1ccc(-c2cnc3ccc(NC(=O)NC4CCCC4)nc3n2)o1
InChIInChI=1S/C20H25N5O2Si/c1-28(2,3)18-11-9-16(27-18)15-12-21-14-8-10-17(24-19(14)23-15)25-20(26)22-13-6-4-5-7-13/h8-13H,4-7H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyYKJLXZDVEMMQAZ-UHFFFAOYSA-N
XLogP3.89
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 70814920) is 1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea is C[Si](C)(C)c1ccc(-c2cnc3ccc(NC(=O)NC4CCCC4)nc3n2)o1.
What is the InChIKey of 1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is YKJLXZDVEMMQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2Si/c1-28(2,3)18-11-9-16(27-18)15-12-21-14-8-10-17(24-19(14)23-15)25-20(26)22-13-6-4-5-7-13/h8-13H,4-7H2,1-3H3,(H2,22,23,24,25,26).
What are the key properties of 1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 395.54 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 70814920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).