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

C25H31N9O2 — CID 121391080

IUPAC2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)CN5CC(O)C5)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C25H31N9O2/c1-3-19(4-2)32-10-18(8-28-32)25-23-5-6-26-34(23)15-22(29-25)17-7-27-33(9-17)20-11-31(12-20)24(36)16-30-13-21(35)14-30/h5-10,15,19-21,35H,3-4,11-14,16H2,1-2H3
InChIKeySOXWEUBOXNGPLB-UHFFFAOYSA-N
MW489.58 g/mol
LogP1.88
Rot. Bonds8

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

2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone (PubChem CID 121391080) has the molecular formula C25H31N9O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone
PubChem CID121391080
Molecular FormulaC25H31N9O2
Molecular Weight489.58 g/mol
Exact Mass489.26
IUPAC Name2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)CN5CC(O)C5)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C25H31N9O2/c1-3-19(4-2)32-10-18(8-28-32)25-23-5-6-26-34(23)15-22(29-25)17-7-27-33(9-17)20-11-31(12-20)24(36)16-30-13-21(35)14-30/h5-10,15,19-21,35H,3-4,11-14,16H2,1-2H3
InChIKeySOXWEUBOXNGPLB-UHFFFAOYSA-N
XLogP1.88
TPSA109.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone (CID 121391080) is 2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone is CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)CN5CC(O)C5)C4)c3)cn3nccc23)cn1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?
The InChIKey is SOXWEUBOXNGPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N9O2/c1-3-19(4-2)32-10-18(8-28-32)25-23-5-6-26-34(23)15-22(29-25)17-7-27-33(9-17)20-11-31(12-20)24(36)16-30-13-21(35)14-30/h5-10,15,19-21,35H,3-4,11-14,16H2,1-2H3.
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone?
2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone has a molecular weight of 489.58 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 121391080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).