1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea

C17H17N5O2S — CID 88994409

IUPAC1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
SMILESO=C(Nc1ccc2ncc(-c3ccoc3)nc2n1)N(S)C1CCCC1
InChIInChI=1S/C17H17N5O2S/c23-17(22(25)12-3-1-2-4-12)21-15-6-5-13-16(20-15)19-14(9-18-13)11-7-8-24-10-11/h5-10,12,25H,1-4H2,(H,19,20,21,23)
InChIKeyZBLOKKMFPXOIFP-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.91
Rot. Bonds3

About 1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea

1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea (PubChem CID 88994409) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
PubChem CID88994409
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
SMILESO=C(Nc1ccc2ncc(-c3ccoc3)nc2n1)N(S)C1CCCC1
InChIInChI=1S/C17H17N5O2S/c23-17(22(25)12-3-1-2-4-12)21-15-6-5-13-16(20-15)19-14(9-18-13)11-7-8-24-10-11/h5-10,12,25H,1-4H2,(H,19,20,21,23)
InChIKeyZBLOKKMFPXOIFP-UHFFFAOYSA-N
XLogP3.91
TPSA84.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
The IUPAC name of 1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea (CID 88994409) is 1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea.
What is the SMILES notation for 1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
The canonical SMILES for 1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea is O=C(Nc1ccc2ncc(-c3ccoc3)nc2n1)N(S)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
The InChIKey is ZBLOKKMFPXOIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-17(22(25)12-3-1-2-4-12)21-15-6-5-13-16(20-15)19-14(9-18-13)11-7-8-24-10-11/h5-10,12,25H,1-4H2,(H,19,20,21,23).
What are the key properties of 1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea?
1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea has a molecular weight of 355.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea is sourced from PubChem (CID 88994409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).