N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide

C22H24N6O2 — CID 157018408

IUPACN-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@@H]2O
InChIInChI=1S/C22H24N6O2/c29-18-13-27(19-12-23-8-9-24-19)15-22(18)17(21(22)16-5-2-1-3-6-16)11-25-20(30)14-28-10-4-7-26-28/h1-10,12,17-18,21,29H,11,13-15H2,(H,25,30)/t17-,18+,21-,22-/m1/s1
InChIKeyKTRJYMIMSYICDW-GMQQQROESA-N
MW404.47 g/mol
LogP1.07
Rot. Bonds6

About N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide

N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide (PubChem CID 157018408) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide
PubChem CID157018408
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@@H]2O
InChIInChI=1S/C22H24N6O2/c29-18-13-27(19-12-23-8-9-24-19)15-22(18)17(21(22)16-5-2-1-3-6-16)11-25-20(30)14-28-10-4-7-26-28/h1-10,12,17-18,21,29H,11,13-15H2,(H,25,30)/t17-,18+,21-,22-/m1/s1
InChIKeyKTRJYMIMSYICDW-GMQQQROESA-N
XLogP1.07
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide with MolForge

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Related Compounds

N-[[(1R,2S,3R,4S)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-1H-pyrazole-5-carboxamide
CID 162627782
3-hydroxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-(6-methylpyrimidin-4-yl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]propanamide
CID 157017632
[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-pyrazin-2-ylmethanone
CID 155493428
2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-6-[(1-methylimidazol-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide
CID 157019360
N-[[(1R,2S,3R,4S)-4-hydroxy-2-phenyl-6-(pyrimidin-5-ylmethyl)-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methoxypropanamide
CID 162637435
N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide
CID 162626733
N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide
CID 171914203
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 163341349
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 47029028
[(1R,2S,3R,4S)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-pyridin-4-ylmethanone
CID 155503199
N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide
CID 64927127

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide (CID 157018408) is N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@@H]2O.
What is the InChIKey of N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is KTRJYMIMSYICDW-GMQQQROESA-N. The full InChI is InChI=1S/C22H24N6O2/c29-18-13-27(19-12-23-8-9-24-19)15-22(18)17(21(22)16-5-2-1-3-6-16)11-25-20(30)14-28-10-4-7-26-28/h1-10,12,17-18,21,29H,11,13-15H2,(H,25,30)/t17-,18+,21-,22-/m1/s1.
What are the key properties of N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide?
N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 404.47 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 157018408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).