1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone

C23H28N8O2 — CID 121390957

IUPAC1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(=O)N4CCOCC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H28N8O2/c1-3-19(4-2)30-14-18(12-26-30)23-21-5-6-24-31(21)15-20(27-23)17-11-25-29(13-17)16-22(32)28-7-9-33-10-8-28/h5-6,11-15,19H,3-4,7-10,16H2,1-2H3
InChIKeyJFWKUYOSILBESK-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.68
Rot. Bonds7

About 1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone

1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone (PubChem CID 121390957) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone
PubChem CID121390957
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(=O)N4CCOCC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H28N8O2/c1-3-19(4-2)30-14-18(12-26-30)23-21-5-6-24-31(21)15-20(27-23)17-11-25-29(13-17)16-22(32)28-7-9-33-10-8-28/h5-6,11-15,19H,3-4,7-10,16H2,1-2H3
InChIKeyJFWKUYOSILBESK-UHFFFAOYSA-N
XLogP2.68
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone (CID 121390957) is 1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone is CCC(CC)n1cc(-c2nc(-c3cnn(CC(=O)N4CCOCC4)c3)cn3nccc23)cn1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone?
The InChIKey is JFWKUYOSILBESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-3-19(4-2)30-14-18(12-26-30)23-21-5-6-24-31(21)15-20(27-23)17-11-25-29(13-17)16-22(32)28-7-9-33-10-8-28/h5-6,11-15,19H,3-4,7-10,16H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone?
1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone has a molecular weight of 448.53 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 121390957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).