[(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone

C23H22N6O2 — CID 121439338

IUPAC[(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESC[C@@H]1CC[C@@H](Oc2nccn3nccc23)CN1C(=O)c1ccccc1-c1ncccn1
InChIInChI=1S/C23H22N6O2/c1-16-7-8-17(31-22-20-9-12-27-29(20)14-13-26-22)15-28(16)23(30)19-6-3-2-5-18(19)21-24-10-4-11-25-21/h2-6,9-14,16-17H,7-8,15H2,1H3/t16-,17-/m1/s1
InChIKeyHSJPFTYVSRGKPB-IAGOWNOFSA-N
MW414.47 g/mol
LogP3.26
Rot. Bonds4

About [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone

[(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone (PubChem CID 121439338) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
PubChem CID121439338
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name[(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESC[C@@H]1CC[C@@H](Oc2nccn3nccc23)CN1C(=O)c1ccccc1-c1ncccn1
InChIInChI=1S/C23H22N6O2/c1-16-7-8-17(31-22-20-9-12-27-29(20)14-13-26-22)15-28(16)23(30)19-6-3-2-5-18(19)21-24-10-4-11-25-21/h2-6,9-14,16-17H,7-8,15H2,1H3/t16-,17-/m1/s1
InChIKeyHSJPFTYVSRGKPB-IAGOWNOFSA-N
XLogP3.26
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone (CID 121439338) is [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone is C[C@@H]1CC[C@@H](Oc2nccn3nccc23)CN1C(=O)c1ccccc1-c1ncccn1.
What is the InChIKey of [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is HSJPFTYVSRGKPB-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16-7-8-17(31-22-20-9-12-27-29(20)14-13-26-22)15-28(16)23(30)19-6-3-2-5-18(19)21-24-10-4-11-25-21/h2-6,9-14,16-17H,7-8,15H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
[(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 414.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 121439338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).