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

C21H22N6O2 — CID 162627782

IUPACN-[[(1R,2S,3R,4S)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@H]2O)c1ccn[nH]1
InChIInChI=1S/C21H22N6O2/c28-17-12-27(18-11-22-8-9-23-18)13-21(17)15(19(21)14-4-2-1-3-5-14)10-24-20(29)16-6-7-25-26-16/h1-9,11,15,17,19,28H,10,12-13H2,(H,24,29)(H,25,26)/t15-,17-,19-,21-/m1/s1
InChIKeyCNWDWLRUNCTYBO-STQYRHOTSA-N
MW390.45 g/mol
LogP1.21
Rot. Bonds5

About 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

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 (PubChem CID 162627782) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(1R,2S,3R,4S)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID162627782
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[[(1R,2S,3R,4S)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@H]2O)c1ccn[nH]1
InChIInChI=1S/C21H22N6O2/c28-17-12-27(18-11-22-8-9-23-18)13-21(17)15(19(21)14-4-2-1-3-5-14)10-24-20(29)16-6-7-25-26-16/h1-9,11,15,17,19,28H,10,12-13H2,(H,24,29)(H,25,26)/t15-,17-,19-,21-/m1/s1
InChIKeyCNWDWLRUNCTYBO-STQYRHOTSA-N
XLogP1.21
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-pyrazin-2-ylmethanone
CID 155493428
N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide
CID 171914203
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-[[(1R,2S,3R,4S)-4-hydroxy-2-phenyl-6-(pyrimidin-5-ylmethyl)-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methoxypropanamide
CID 162637435
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
4-[[(1R,2S,3R,4S)-4-hydroxy-6-(3-methyl-4-pyridinyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]piperazin-2-one
CID 163319396
N-[[(1R,2S,3R,4S)-6-(5-fluoropyridine-3-carbonyl)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]propanamide
CID 162626717
[(1R,2S,3R,4S)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-pyridin-4-ylmethanone
CID 155503199
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-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97051911
N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide
CID 166205676

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@H]2O)c1ccn[nH]1.
What is the InChIKey of 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?
The InChIKey is CNWDWLRUNCTYBO-STQYRHOTSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-17-12-27(18-11-22-8-9-23-18)13-21(17)15(19(21)14-4-2-1-3-5-14)10-24-20(29)16-6-7-25-26-16/h1-9,11,15,17,19,28H,10,12-13H2,(H,24,29)(H,25,26)/t15-,17-,19-,21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 390.45 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162627782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).