1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone

C21H21N5O2 — CID 167691905

IUPAC1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
SMILESNc1ncc(-c2ccccc2)nc1C(=O)Cc1cnccc1N1CCOCC1
InChIInChI=1S/C21H21N5O2/c22-21-20(25-17(14-24-21)15-4-2-1-3-5-15)19(27)12-16-13-23-7-6-18(16)26-8-10-28-11-9-26/h1-7,13-14H,8-12H2,(H2,22,24)
InChIKeyXBOWAAKLCMWPLY-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.38
Rot. Bonds5

About 1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone

1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone (PubChem CID 167691905) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
PubChem CID167691905
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
SMILESNc1ncc(-c2ccccc2)nc1C(=O)Cc1cnccc1N1CCOCC1
InChIInChI=1S/C21H21N5O2/c22-21-20(25-17(14-24-21)15-4-2-1-3-5-15)19(27)12-16-13-23-7-6-18(16)26-8-10-28-11-9-26/h1-7,13-14H,8-12H2,(H2,22,24)
InChIKeyXBOWAAKLCMWPLY-UHFFFAOYSA-N
XLogP2.38
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167618356
1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167672209
(2S)-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-2-(methylamino)propanoic acid
CID 167698926
1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167680699
methyl (2S)-2-amino-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]propanoate
CID 167597149
1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one
CID 167550963
1-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167633645
1-[3-amino-6-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167679439
benzyl (3R)-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenoxy]pyrrolidine-1-carboxylate
CID 167545975
1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167623393
2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
CID 147607647
tert-butyl N-[5-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]-2,3-dihydro-1H-inden-2-yl]carbamate
CID 167555274

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
The IUPAC name of 1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone (CID 167691905) is 1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone is Nc1ncc(-c2ccccc2)nc1C(=O)Cc1cnccc1N1CCOCC1.
What is the InChIKey of 1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
The InChIKey is XBOWAAKLCMWPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-21-20(25-17(14-24-21)15-4-2-1-3-5-15)19(27)12-16-13-23-7-6-18(16)26-8-10-28-11-9-26/h1-7,13-14H,8-12H2,(H2,22,24).
What are the key properties of 1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone has a molecular weight of 375.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 167691905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).