5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine

C22H23N7OS — CID 172735668

IUPAC5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine
SMILESCSc1nc(Nc2ccc(N3CCOCC3)cc2)cnc1-c1cncc2c1ncn2C
InChIInChI=1S/C22H23N7OS/c1-28-14-25-20-17(11-23-12-18(20)28)21-22(31-2)27-19(13-24-21)26-15-3-5-16(6-4-15)29-7-9-30-10-8-29/h3-6,11-14H,7-10H2,1-2H3,(H,26,27)
InChIKeyIJYYGHJQUNEBIO-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.73
Rot. Bonds5

About 5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine

5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine (PubChem CID 172735668) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine
PubChem CID172735668
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine
SMILESCSc1nc(Nc2ccc(N3CCOCC3)cc2)cnc1-c1cncc2c1ncn2C
InChIInChI=1S/C22H23N7OS/c1-28-14-25-20-17(11-23-12-18(20)28)21-22(31-2)27-19(13-24-21)26-15-3-5-16(6-4-15)29-7-9-30-10-8-29/h3-6,11-14H,7-10H2,1-2H3,(H,26,27)
InChIKeyIJYYGHJQUNEBIO-UHFFFAOYSA-N
XLogP3.73
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(1-methylbenzimidazol-4-yl)-5-methylsulfanyl-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 166485023
methyl 3-(2-chloro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylate
CID 166484893
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate
CID 166484750
N-(4-morpholin-4-ylphenyl)-4-(1-propylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 67445017
5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71735711
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
2-(4-morpholin-4-ylanilino)-4-pyridin-3-ylpyrimidine-5-carbonitrile
CID 18517025
3-methylsulfanyl-6-N-(4-morpholin-4-ylphenyl)-4-N-(1,3-thiazol-2-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 59591742
2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 117079543
5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid
CID 171063563

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine?
The IUPAC name of 5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine (CID 172735668) is 5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine?
The canonical SMILES for 5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine is CSc1nc(Nc2ccc(N3CCOCC3)cc2)cnc1-c1cncc2c1ncn2C.
What is the InChIKey of 5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine?
The InChIKey is IJYYGHJQUNEBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-28-14-25-20-17(11-23-12-18(20)28)21-22(31-2)27-19(13-24-21)26-15-3-5-16(6-4-15)29-7-9-30-10-8-29/h3-6,11-14H,7-10H2,1-2H3,(H,26,27).
What are the key properties of 5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine?
5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine has a molecular weight of 433.54 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine is sourced from PubChem (CID 172735668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).