5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

C24H31N7O3S — CID 166982964

IUPAC5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C)c1C1CCS(=O)(=O)N1
InChIInChI=1S/C24H31N7O3S/c1-15-10-17(11-16(2)22(15)20-6-9-35(32,33)29-20)21-13-26-23(25)24(28-21)34-19-12-27-31(14-19)18-4-7-30(3)8-5-18/h10-14,18,20,29H,4-9H2,1-3H3,(H2,25,26)
InChIKeyQHCYOGJYOCLQHV-UHFFFAOYSA-N
MW497.63 g/mol
LogP2.96
Rot. Bonds5

About 5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine

5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (PubChem CID 166982964) has the molecular formula C24H31N7O3S and a molecular weight of 497.63 g/mol. Its IUPAC name is 5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
PubChem CID166982964
Molecular FormulaC24H31N7O3S
Molecular Weight497.63 g/mol
Exact Mass497.22
IUPAC Name5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C)c1C1CCS(=O)(=O)N1
InChIInChI=1S/C24H31N7O3S/c1-15-10-17(11-16(2)22(15)20-6-9-35(32,33)29-20)21-13-26-23(25)24(28-21)34-19-12-27-31(14-19)18-4-7-30(3)8-5-18/h10-14,18,20,29H,4-9H2,1-3H3,(H2,25,26)
InChIKeyQHCYOGJYOCLQHV-UHFFFAOYSA-N
XLogP2.96
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.63
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?
The IUPAC name of 5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine (CID 166982964) is 5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine.
What is the SMILES notation for 5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?
The canonical SMILES for 5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is Cc1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C)c1C1CCS(=O)(=O)N1.
What is the InChIKey of 5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?
The InChIKey is QHCYOGJYOCLQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O3S/c1-15-10-17(11-16(2)22(15)20-6-9-35(32,33)29-20)21-13-26-23(25)24(28-21)34-19-12-27-31(14-19)18-4-7-30(3)8-5-18/h10-14,18,20,29H,4-9H2,1-3H3,(H2,25,26).
What are the key properties of 5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine?
5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine has a molecular weight of 497.63 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,1-dioxo-1,2-thiazolidin-3-yl)-3,5-dimethylphenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine is sourced from PubChem (CID 166982964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).