4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one

C22H26N8O — CID 163576653

IUPAC4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCNCC4=O)c3)cn3nccc23)cn1
InChIInChI=1S/C22H26N8O/c1-3-17(4-2)28-13-16(10-25-28)22-20-6-8-24-30(20)14-18(27-22)15-9-26-29(12-15)19-5-7-23-11-21(19)31/h6,8-10,12-14,17,19,23H,3-5,7,11H2,1-2H3
InChIKeyGEBSAPBGNDYFNW-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.92
Rot. Bonds6

About 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one

4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one (PubChem CID 163576653) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one.

Molecular Properties

Compound Name4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one
PubChem CID163576653
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCNCC4=O)c3)cn3nccc23)cn1
InChIInChI=1S/C22H26N8O/c1-3-17(4-2)28-13-16(10-25-28)22-20-6-8-24-30(20)14-18(27-22)15-9-26-29(12-15)19-5-7-23-11-21(19)31/h6,8-10,12-14,17,19,23H,3-5,7,11H2,1-2H3
InChIKeyGEBSAPBGNDYFNW-UHFFFAOYSA-N
XLogP2.92
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one?
The IUPAC name of 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one (CID 163576653) is 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one.
What is the SMILES notation for 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one?
The canonical SMILES for 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one is CCC(CC)n1cc(-c2nc(-c3cnn(C4CCNCC4=O)c3)cn3nccc23)cn1.
What is the InChIKey of 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one?
The InChIKey is GEBSAPBGNDYFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-3-17(4-2)28-13-16(10-25-28)22-20-6-8-24-30(20)14-18(27-22)15-9-26-29(12-15)19-5-7-23-11-21(19)31/h6,8-10,12-14,17,19,23H,3-5,7,11H2,1-2H3.
What are the key properties of 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one?
4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one has a molecular weight of 418.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-one is sourced from PubChem (CID 163576653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).