8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine

C17H11Cl2N5S — CID 154608536

IUPAC8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine
SMILESCc1cc(-c2c(-c3ccc(Cl)s3)nc(N)c3nccnc23)cc(Cl)n1
InChIInChI=1S/C17H11Cl2N5S/c1-8-6-9(7-11(18)23-8)13-14(10-2-3-12(19)25-10)24-17(20)16-15(13)21-4-5-22-16/h2-7H,1H3,(H2,20,24)
InChIKeyWHFGRWFBZYHAMF-UHFFFAOYSA-N
MW388.28 g/mol
LogP5.01
Rot. Bonds2

About 8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine

8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 154608536) has the molecular formula C17H11Cl2N5S and a molecular weight of 388.28 g/mol. Its IUPAC name is 8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID154608536
Molecular FormulaC17H11Cl2N5S
Molecular Weight388.28 g/mol
Exact Mass387.01
IUPAC Name8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine
SMILESCc1cc(-c2c(-c3ccc(Cl)s3)nc(N)c3nccnc23)cc(Cl)n1
InChIInChI=1S/C17H11Cl2N5S/c1-8-6-9(7-11(18)23-8)13-14(10-2-3-12(19)25-10)24-17(20)16-15(13)21-4-5-22-16/h2-7H,1H3,(H2,20,24)
InChIKeyWHFGRWFBZYHAMF-UHFFFAOYSA-N
XLogP5.01
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.28
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-(5-chlorothiophen-2-yl)-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[3,4-b]pyrazin-5-amine
CID 154608566
3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine
CID 166793488
8-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 161497988
4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine
CID 82473516
2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile
CID 56878212
5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
CID 137372402
7-(4-fluorophenyl)-8-quinoxalin-6-ylpyrido[3,4-b]pyrazin-5-amine
CID 152831094
3,5-dichloro-6-(5-methylthiophen-2-yl)pyridin-2-amine
CID 102753544
4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine
CID 130834174
2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine
CID 130756455
7-(4-fluorophenyl)-8-quinolin-6-ylpyrido[3,4-b]pyrazin-5-amine
CID 146801526
8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387201

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine (CID 154608536) is 8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine is Cc1cc(-c2c(-c3ccc(Cl)s3)nc(N)c3nccnc23)cc(Cl)n1.
What is the InChIKey of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is WHFGRWFBZYHAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5S/c1-8-6-9(7-11(18)23-8)13-14(10-2-3-12(19)25-10)24-17(20)16-15(13)21-4-5-22-16/h2-7H,1H3,(H2,20,24).
What are the key properties of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine?
8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 388.28 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 154608536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).