[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea

C13H11N5OS — CID 123875970

IUPAC[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCc1ccc(-c2cnc3ccc(NC(N)=O)nc3n2)s1
InChIInChI=1S/C13H11N5OS/c1-7-2-4-10(20-7)9-6-15-8-3-5-11(18-13(14)19)17-12(8)16-9/h2-6H,1H3,(H3,14,16,17,18,19)
InChIKeyFPQCRWDMESNKRE-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.55
Rot. Bonds2

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

[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 123875970) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is [3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID123875970
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCc1ccc(-c2cnc3ccc(NC(N)=O)nc3n2)s1
InChIInChI=1S/C13H11N5OS/c1-7-2-4-10(20-7)9-6-15-8-3-5-11(18-13(14)19)17-12(8)16-9/h2-6H,1H3,(H3,14,16,17,18,19)
InChIKeyFPQCRWDMESNKRE-UHFFFAOYSA-N
XLogP2.55
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea
CID 88994377
5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
CID 70815017
1-pentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 123189450
1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 88995559
2-(5-methylthiophen-2-yl)quinoxaline
CID 10680762
1-ethyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70814986
(2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid
CID 70854683
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610
1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730273
N-methyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide
CID 58881960
1-[3-[5-(hydroxymethyl)thiophen-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
CID 88994375
1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 174711834

Frequently Asked Questions

What is the IUPAC name of [3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of [3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 123875970) is [3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for [3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for [3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea is Cc1ccc(-c2cnc3ccc(NC(N)=O)nc3n2)s1.
What is the InChIKey of [3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is FPQCRWDMESNKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c1-7-2-4-10(20-7)9-6-15-8-3-5-11(18-13(14)19)17-12(8)16-9/h2-6H,1H3,(H3,14,16,17,18,19).
What are the key properties of [3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 285.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 123875970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).