[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C17H18N6O2 — CID 124977212

IUPAC[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESO=C(c1cnn2cccnc12)N1CCOC[C@@H]1CCc1cnccn1
InChIInChI=1S/C17H18N6O2/c24-17(15-11-21-23-7-1-4-20-16(15)23)22-8-9-25-12-14(22)3-2-13-10-18-5-6-19-13/h1,4-7,10-11,14H,2-3,8-9,12H2/t14-/m0/s1
InChIKeyLKSSCOGQHDHPHH-AWEZNQCLSA-N
MW338.37 g/mol
LogP0.99
Rot. Bonds4

About [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 124977212) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID124977212
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESO=C(c1cnn2cccnc12)N1CCOC[C@@H]1CCc1cnccn1
InChIInChI=1S/C17H18N6O2/c24-17(15-11-21-23-7-1-4-20-16(15)23)22-8-9-25-12-14(22)3-2-13-10-18-5-6-19-13/h1,4-7,10-11,14H,2-3,8-9,12H2/t14-/m0/s1
InChIKeyLKSSCOGQHDHPHH-AWEZNQCLSA-N
XLogP0.99
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone with MolForge

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Related Compounds

[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrimidin-2-ylmethanone
CID 110132170
[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 110132191
(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
CID 125013670
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124995063
3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one
CID 124998191
2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 110132201
[(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone
CID 126424904
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 125018147
3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124944351
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
CID 125010537
1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124959044

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 124977212) is [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is O=C(c1cnn2cccnc12)N1CCOC[C@@H]1CCc1cnccn1.
What is the InChIKey of [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is LKSSCOGQHDHPHH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-17(15-11-21-23-7-1-4-20-16(15)23)22-8-9-25-12-14(22)3-2-13-10-18-5-6-19-13/h1,4-7,10-11,14H,2-3,8-9,12H2/t14-/m0/s1.
What are the key properties of [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 338.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 124977212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).