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

C22H27N9O — CID 121391028

IUPAC2-amino-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)CN)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H27N9O/c1-3-17(4-2)29-11-16(9-26-29)22-20-5-6-24-31(20)14-19(27-22)15-8-25-30(10-15)18-12-28(13-18)21(32)7-23/h5-6,8-11,14,17-18H,3-4,7,12-13,23H2,1-2H3
InChIKeyZFWHBPIQEJHLAR-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.16
Rot. Bonds7

About 2-amino-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-amino-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 121391028) has the molecular formula C22H27N9O and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-amino-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-amino-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 CID121391028
Molecular FormulaC22H27N9O
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC Name2-amino-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)CN)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H27N9O/c1-3-17(4-2)29-11-16(9-26-29)22-20-5-6-24-31(20)14-19(27-22)15-8-25-30(10-15)18-12-28(13-18)21(32)7-23/h5-6,8-11,14,17-18H,3-4,7,12-13,23H2,1-2H3
InChIKeyZFWHBPIQEJHLAR-UHFFFAOYSA-N
XLogP2.16
TPSA112.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-amino-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-amino-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-amino-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 121391028) is 2-amino-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-amino-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-amino-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)CN)C4)c3)cn3nccc23)cn1.
What is the InChIKey of 2-amino-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 ZFWHBPIQEJHLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N9O/c1-3-17(4-2)29-11-16(9-26-29)22-20-5-6-24-31(20)14-19(27-22)15-8-25-30(10-15)18-12-28(13-18)21(32)7-23/h5-6,8-11,14,17-18H,3-4,7,12-13,23H2,1-2H3.
What are the key properties of 2-amino-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-amino-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 433.52 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-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 121391028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).