1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea

C16H15ClN6OS — CID 87654657

IUPAC1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
SMILESCCNC(=O)N(S)c1ccc2ncc(Nc3cccc(Cl)c3)nc2n1
InChIInChI=1S/C16H15ClN6OS/c1-2-18-16(24)23(25)14-7-6-12-15(22-14)21-13(9-19-12)20-11-5-3-4-10(17)8-11/h3-9,25H,2H2,1H3,(H,18,24)(H,20,21,22)
InChIKeyIYDHGQRCSNGQAP-UHFFFAOYSA-N
MW374.86 g/mol
LogP3.80
Rot. Bonds4

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

1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea (PubChem CID 87654657) has the molecular formula C16H15ClN6OS and a molecular weight of 374.86 g/mol. Its IUPAC name is 1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea.

Molecular Properties

Compound Name1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
PubChem CID87654657
Molecular FormulaC16H15ClN6OS
Molecular Weight374.86 g/mol
Exact Mass374.07
IUPAC Name1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
SMILESCCNC(=O)N(S)c1ccc2ncc(Nc3cccc(Cl)c3)nc2n1
InChIInChI=1S/C16H15ClN6OS/c1-2-18-16(24)23(25)14-7-6-12-15(22-14)21-13(9-19-12)20-11-5-3-4-10(17)8-11/h3-9,25H,2H2,1H3,(H,18,24)(H,20,21,22)
InChIKeyIYDHGQRCSNGQAP-UHFFFAOYSA-N
XLogP3.80
TPSA83.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.86
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
CID 87656190
1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
CID 87655567
1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 25151707
2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid
CID 25153536
2-[3-[[3-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-6-yl]amino]phenyl]acetic acid
CID 25152091
N-(3-chlorophenyl)-3-phenylpyrido[2,3-b]pyrazin-6-amine
CID 22725052
4-[6-[ethylcarbamoyl(sulfanyl)amino]pyrido[2,3-b]pyrazin-3-yl]pyrazole-1-carboxylic acid
CID 123859355
1-ethyl-3-[3-(pyridin-3-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881916
1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881777
5-(3-chloroanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109292815
1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881846
5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290227

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea?
The IUPAC name of 1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea (CID 87654657) is 1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea.
What is the SMILES notation for 1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea?
The canonical SMILES for 1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea is CCNC(=O)N(S)c1ccc2ncc(Nc3cccc(Cl)c3)nc2n1.
What is the InChIKey of 1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea?
The InChIKey is IYDHGQRCSNGQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6OS/c1-2-18-16(24)23(25)14-7-6-12-15(22-14)21-13(9-19-12)20-11-5-3-4-10(17)8-11/h3-9,25H,2H2,1H3,(H,18,24)(H,20,21,22).
What are the key properties of 1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea?
1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea has a molecular weight of 374.86 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea is sourced from PubChem (CID 87654657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).