4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

C20H23N5OS — CID 134693850

IUPAC4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCSc1nc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c(C)[nH]1
InChIInChI=1S/C20H23N5OS/c1-14-19(24-20(22-14)27-2)15-7-8-21-18(13-15)23-16-3-5-17(6-4-16)25-9-11-26-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIATSSYNKRCFJAY-UHFFFAOYSA-N
MW381.51 g/mol
LogP4.08
Rot. Bonds5

About 4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 134693850) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID134693850
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCSc1nc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c(C)[nH]1
InChIInChI=1S/C20H23N5OS/c1-14-19(24-20(22-14)27-2)15-7-8-21-18(13-15)23-16-3-5-17(6-4-16)25-9-11-26-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIATSSYNKRCFJAY-UHFFFAOYSA-N
XLogP4.08
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 134693850) is 4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is CSc1nc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c(C)[nH]1.
What is the InChIKey of 4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is IATSSYNKRCFJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-19(24-20(22-14)27-2)15-7-8-21-18(13-15)23-16-3-5-17(6-4-16)25-9-11-26-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 381.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-methylsulfanyl-1H-imidazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 134693850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).