1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone

C23H26N6O2 — CID 167699791

IUPAC1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone
SMILESCOC1CN(c2ccncc2CC(=O)c2nc(-c3ccc(CCN)cc3)cnc2N)C1
InChIInChI=1S/C23H26N6O2/c1-31-18-13-29(14-18)20-7-9-26-11-17(20)10-21(30)22-23(25)27-12-19(28-22)16-4-2-15(3-5-16)6-8-24/h2-5,7,9,11-12,18H,6,8,10,13-14,24H2,1H3,(H2,25,27)
InChIKeyYEXYVIDCEUCTND-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.88
Rot. Bonds8

About 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone

1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone (PubChem CID 167699791) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone
PubChem CID167699791
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone
SMILESCOC1CN(c2ccncc2CC(=O)c2nc(-c3ccc(CCN)cc3)cnc2N)C1
InChIInChI=1S/C23H26N6O2/c1-31-18-13-29(14-18)20-7-9-26-11-17(20)10-21(30)22-23(25)27-12-19(28-22)16-4-2-15(3-5-16)6-8-24/h2-5,7,9,11-12,18H,6,8,10,13-14,24H2,1H3,(H2,25,27)
InChIKeyYEXYVIDCEUCTND-UHFFFAOYSA-N
XLogP1.88
TPSA120.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167672209
benzyl N-[2-[4-[5-amino-6-[2-[4-(3-methylazetidin-1-yl)-3-pyridinyl]acetyl]pyrazin-2-yl]phenyl]ethyl]carbamate
CID 167639210
1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-[3-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]ethanone
CID 167547959
methyl (2S)-2-amino-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]propanoate
CID 167597149
benzyl N-[2-[4-[5-amino-6-[2-[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]acetyl]pyrazin-2-yl]phenyl]ethyl]carbamate
CID 167592141
3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 167178690
1-[3-amino-6-(4-propylphenyl)pyrazin-2-yl]-2-[4-(triazol-1-yl)-3-pyridinyl]ethanone
CID 167645795
1-[3-amino-6-[4-[2-(methylamino)ethyl]phenyl]pyrazin-2-yl]-2-[4-(2-methylimidazol-1-yl)-3-pyridinyl]ethanone
CID 167583660
1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167691905
2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
CID 147607647
(2S)-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]-2-(methylamino)propanoic acid
CID 167698926
benzyl (3R)-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenoxy]pyrrolidine-1-carboxylate
CID 167545975

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone (CID 167699791) is 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone is COC1CN(c2ccncc2CC(=O)c2nc(-c3ccc(CCN)cc3)cnc2N)C1.
What is the InChIKey of 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is YEXYVIDCEUCTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-31-18-13-29(14-18)20-7-9-26-11-17(20)10-21(30)22-23(25)27-12-19(28-22)16-4-2-15(3-5-16)6-8-24/h2-5,7,9,11-12,18H,6,8,10,13-14,24H2,1H3,(H2,25,27).
What are the key properties of 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone?
1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 418.50 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 167699791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).