4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine

C28H36N8O — CID 170062880

IUPAC4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine
SMILESCCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cnc(N6CCOC(C)(C)C6)c(C)c5)nc34)cn2)CC1
InChIInChI=1S/C28H36N8O/c1-5-34-8-6-22(7-9-34)36-17-21(14-32-36)23-15-29-26-25(23)33-24(16-30-26)20-12-19(2)27(31-13-20)35-10-11-37-28(3,4)18-35/h12-17,22H,5-11,18H2,1-4H3,(H,29,30)
InChIKeyXRUIYLLBPASAID-UHFFFAOYSA-N
MW500.65 g/mol
LogP4.46
Rot. Bonds5

About 4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine

4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine (PubChem CID 170062880) has the molecular formula C28H36N8O and a molecular weight of 500.65 g/mol. Its IUPAC name is 4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine
PubChem CID170062880
Molecular FormulaC28H36N8O
Molecular Weight500.65 g/mol
Exact Mass500.30
IUPAC Name4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine
SMILESCCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cnc(N6CCOC(C)(C)C6)c(C)c5)nc34)cn2)CC1
InChIInChI=1S/C28H36N8O/c1-5-34-8-6-22(7-9-34)36-17-21(14-32-36)23-15-29-26-25(23)33-24(16-30-26)20-12-19(2)27(31-13-20)35-10-11-37-28(3,4)18-35/h12-17,22H,5-11,18H2,1-4H3,(H,29,30)
InChIKeyXRUIYLLBPASAID-UHFFFAOYSA-N
XLogP4.46
TPSA87.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine (CID 170062880) is 4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine is CCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cnc(N6CCOC(C)(C)C6)c(C)c5)nc34)cn2)CC1.
What is the InChIKey of 4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine?
The InChIKey is XRUIYLLBPASAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O/c1-5-34-8-6-22(7-9-34)36-17-21(14-32-36)23-15-29-26-25(23)33-24(16-30-26)20-12-19(2)27(31-13-20)35-10-11-37-28(3,4)18-35/h12-17,22H,5-11,18H2,1-4H3,(H,29,30).
What are the key properties of 4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine?
4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine has a molecular weight of 500.65 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3-methyl-2-pyridinyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 170062880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).