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

C25H32N8O2 — CID 121378273

IUPAC1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCN(C(C)=O)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C25H32N8O2/c1-4-21(5-2)32-15-20(13-28-32)24-23-6-9-26-33(23)16-22(29-24)19-12-27-31(14-19)17-25(35)7-10-30(11-8-25)18(3)34/h6,9,12-16,21,35H,4-5,7-8,10-11,17H2,1-3H3
InChIKeyODXJPWQJGRKWJV-UHFFFAOYSA-N
MW476.59 g/mol
LogP3.19
Rot. Bonds7

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

1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 121378273) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID121378273
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC Name1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCN(C(C)=O)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C25H32N8O2/c1-4-21(5-2)32-15-20(13-28-32)24-23-6-9-26-33(23)16-22(29-24)19-12-27-31(14-19)17-25(35)7-10-30(11-8-25)18(3)34/h6,9,12-16,21,35H,4-5,7-8,10-11,17H2,1-3H3
InChIKeyODXJPWQJGRKWJV-UHFFFAOYSA-N
XLogP3.19
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone (CID 121378273) is 1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone is CCC(CC)n1cc(-c2nc(-c3cnn(CC4(O)CCN(C(C)=O)CC4)c3)cn3nccc23)cn1.
What is the InChIKey of 1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is ODXJPWQJGRKWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-4-21(5-2)32-15-20(13-28-32)24-23-6-9-26-33(23)16-22(29-24)19-12-27-31(14-19)17-25(35)7-10-30(11-8-25)18(3)34/h6,9,12-16,21,35H,4-5,7-8,10-11,17H2,1-3H3.
What are the key properties of 1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone?
1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 476.59 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 121378273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).