1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone

C21H20ClN5O2 — CID 167618356

IUPAC1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
SMILESNc1ncc(-c2cccc(Cl)c2)nc1C(=O)Cc1cnccc1N1CCOCC1
InChIInChI=1S/C21H20ClN5O2/c22-16-3-1-2-14(10-16)17-13-25-21(23)20(26-17)19(28)11-15-12-24-5-4-18(15)27-6-8-29-9-7-27/h1-5,10,12-13H,6-9,11H2,(H2,23,25)
InChIKeyMBOGTMZJXMUFBE-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.04
Rot. Bonds5

About 1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone

1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone (PubChem CID 167618356) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
PubChem CID167618356
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
SMILESNc1ncc(-c2cccc(Cl)c2)nc1C(=O)Cc1cnccc1N1CCOCC1
InChIInChI=1S/C21H20ClN5O2/c22-16-3-1-2-14(10-16)17-13-25-21(23)20(26-17)19(28)11-15-12-24-5-4-18(15)27-6-8-29-9-7-27/h1-5,10,12-13H,6-9,11H2,(H2,23,25)
InChIKeyMBOGTMZJXMUFBE-UHFFFAOYSA-N
XLogP3.04
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone with MolForge

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Related Compounds

1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167691905
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-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167680699
1-[3-amino-6-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167679439
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
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
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
1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167623393
tert-butyl 1-(aminomethyl)-6-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 167628486
2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
CID 147607647

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
The IUPAC name of 1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone (CID 167618356) is 1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone is Nc1ncc(-c2cccc(Cl)c2)nc1C(=O)Cc1cnccc1N1CCOCC1.
What is the InChIKey of 1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
The InChIKey is MBOGTMZJXMUFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c22-16-3-1-2-14(10-16)17-13-25-21(23)20(26-17)19(28)11-15-12-24-5-4-18(15)27-6-8-29-9-7-27/h1-5,10,12-13H,6-9,11H2,(H2,23,25).
What are the key properties of 1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone has a molecular weight of 409.88 g/mol, XLogP of 3.04, 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-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 167618356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).