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

C18H21N5O2SSi — CID 88994172

IUPAC1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESC[Si](C)(C)c1ccc(-c2cnc3ccc(NC(=O)N(S)C4CC4)nc3n2)o1
InChIInChI=1S/C18H21N5O2SSi/c1-27(2,3)16-9-7-14(25-16)13-10-19-12-6-8-15(21-17(12)20-13)22-18(24)23(26)11-4-5-11/h6-11,26H,4-5H2,1-3H3,(H,20,21,22,24)
InChIKeyZXJPLEPMEFRHER-UHFFFAOYSA-N
MW399.55 g/mol
LogP3.67
Rot. Bonds4

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

1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 88994172) has the molecular formula C18H21N5O2SSi and a molecular weight of 399.55 g/mol. Its IUPAC name is 1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID88994172
Molecular FormulaC18H21N5O2SSi
Molecular Weight399.55 g/mol
Exact Mass399.12
IUPAC Name1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESC[Si](C)(C)c1ccc(-c2cnc3ccc(NC(=O)N(S)C4CC4)nc3n2)o1
InChIInChI=1S/C18H21N5O2SSi/c1-27(2,3)16-9-7-14(25-16)13-10-19-12-6-8-15(21-17(12)20-13)22-18(24)23(26)11-4-5-11/h6-11,26H,4-5H2,1-3H3,(H,20,21,22,24)
InChIKeyZXJPLEPMEFRHER-UHFFFAOYSA-N
XLogP3.67
TPSA84.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 88994172) is 1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea is C[Si](C)(C)c1ccc(-c2cnc3ccc(NC(=O)N(S)C4CC4)nc3n2)o1.
What is the InChIKey of 1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is ZXJPLEPMEFRHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2SSi/c1-27(2,3)16-9-7-14(25-16)13-10-19-12-6-8-15(21-17(12)20-13)22-18(24)23(26)11-4-5-11/h6-11,26H,4-5H2,1-3H3,(H,20,21,22,24).
What are the key properties of 1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 399.55 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 88994172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).