1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea

C16H14Cl2N6OS — CID 87656190

IUPAC1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
SMILESCCNC(=O)N(S)c1ccc2ncc(Nc3cc(Cl)cc(Cl)c3)nc2n1
InChIInChI=1S/C16H14Cl2N6OS/c1-2-19-16(25)24(26)14-4-3-12-15(23-14)22-13(8-20-12)21-11-6-9(17)5-10(18)7-11/h3-8,26H,2H2,1H3,(H,19,25)(H,21,22,23)
InChIKeyHDUOEWLTAGQDRZ-UHFFFAOYSA-N
MW409.30 g/mol
LogP4.46
Rot. Bonds4

About 1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea

1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea (PubChem CID 87656190) has the molecular formula C16H14Cl2N6OS and a molecular weight of 409.30 g/mol. Its IUPAC name is 1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea.

Molecular Properties

Compound Name1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
PubChem CID87656190
Molecular FormulaC16H14Cl2N6OS
Molecular Weight409.30 g/mol
Exact Mass408.03
IUPAC Name1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
SMILESCCNC(=O)N(S)c1ccc2ncc(Nc3cc(Cl)cc(Cl)c3)nc2n1
InChIInChI=1S/C16H14Cl2N6OS/c1-2-19-16(25)24(26)14-4-3-12-15(23-14)22-13(8-20-12)21-11-6-9(17)5-10(18)7-11/h3-8,26H,2H2,1H3,(H,19,25)(H,21,22,23)
InChIKeyHDUOEWLTAGQDRZ-UHFFFAOYSA-N
XLogP4.46
TPSA83.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 54.46
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-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
CID 87654657
1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
CID 87655567
3-ethyl-1-[3-(4-phenylanilino)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 87656267
1-[3-(2,5-dichloro-4-nitroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
CID 87654467
1-[3-(2-chloro-6-cyano-4-nitroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
CID 87656517
1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881935
4-[6-[ethylcarbamoyl(sulfanyl)amino]pyrido[2,3-b]pyrazin-3-yl]pyrazole-1-carboxylic acid
CID 123859355
1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881777
1-ethyl-3-[3-(pyridin-3-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881916
1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881846
2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid
CID 25153536
ethyl 4-[6-[cyclopropylmethylcarbamoyl(sulfanyl)amino]pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate
CID 88993969

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea?
The IUPAC name of 1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea (CID 87656190) is 1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea.
What is the SMILES notation for 1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea?
The canonical SMILES for 1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea is CCNC(=O)N(S)c1ccc2ncc(Nc3cc(Cl)cc(Cl)c3)nc2n1.
What is the InChIKey of 1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea?
The InChIKey is HDUOEWLTAGQDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6OS/c1-2-19-16(25)24(26)14-4-3-12-15(23-14)22-13(8-20-12)21-11-6-9(17)5-10(18)7-11/h3-8,26H,2H2,1H3,(H,19,25)(H,21,22,23).
What are the key properties of 1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea?
1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea has a molecular weight of 409.30 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dichloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea is sourced from PubChem (CID 87656190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).