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

C25H29N5O2 — CID 167680699

IUPAC1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
SMILESCCCCc1cccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)c1
InChIInChI=1S/C25H29N5O2/c1-2-3-5-18-6-4-7-19(14-18)21-17-28-25(26)24(29-21)23(31)15-20-16-27-9-8-22(20)30-10-12-32-13-11-30/h4,6-9,14,16-17H,2-3,5,10-13,15H2,1H3,(H2,26,28)
InChIKeyVMPAEAZMLLUFEW-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.73
Rot. Bonds8

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

1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone (PubChem CID 167680699) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
PubChem CID167680699
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
SMILESCCCCc1cccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)c1
InChIInChI=1S/C25H29N5O2/c1-2-3-5-18-6-4-7-19(14-18)21-17-28-25(26)24(29-21)23(31)15-20-16-27-9-8-22(20)30-10-12-32-13-11-30/h4,6-9,14,16-17H,2-3,5,10-13,15H2,1H3,(H2,26,28)
InChIKeyVMPAEAZMLLUFEW-UHFFFAOYSA-N
XLogP3.73
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167691905
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-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167679439
1-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-4-(methylamino)butan-1-one
CID 167550963
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-[3-amino-6-(2,4-dichlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167633645
1-[3-amino-6-[2-methyl-4-(methylaminomethyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167623393
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
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
tert-butyl 4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 167538107

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
The IUPAC name of 1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone (CID 167680699) is 1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone is CCCCc1cccc(-c2cnc(N)c(C(=O)Cc3cnccc3N3CCOCC3)n2)c1.
What is the InChIKey of 1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
The InChIKey is VMPAEAZMLLUFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-2-3-5-18-6-4-7-19(14-18)21-17-28-25(26)24(29-21)23(31)15-20-16-27-9-8-22(20)30-10-12-32-13-11-30/h4,6-9,14,16-17H,2-3,5,10-13,15H2,1H3,(H2,26,28).
What are the key properties of 1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone?
1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone has a molecular weight of 431.54 g/mol, XLogP of 3.73, 8 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-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 167680699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).