1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone

C22H23N5O2 — CID 159161643

IUPAC1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone
SMILESO=C(Cc1cc2cc(-c3cnccn3)ncc2cn1)C1CC(N2CCOCC2)C1
InChIInChI=1S/C22H23N5O2/c28-22(16-8-19(9-16)27-3-5-29-6-4-27)11-18-7-15-10-20(21-14-23-1-2-24-21)26-13-17(15)12-25-18/h1-2,7,10,12-14,16,19H,3-6,8-9,11H2
InChIKeyKKOGAOKGIKTHAG-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.31
Rot. Bonds5

About 1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone

1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone (PubChem CID 159161643) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone
PubChem CID159161643
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone
SMILESO=C(Cc1cc2cc(-c3cnccn3)ncc2cn1)C1CC(N2CCOCC2)C1
InChIInChI=1S/C22H23N5O2/c28-22(16-8-19(9-16)27-3-5-29-6-4-27)11-18-7-15-10-20(21-14-23-1-2-24-21)26-13-17(15)12-25-18/h1-2,7,10,12-14,16,19H,3-6,8-9,11H2
InChIKeyKKOGAOKGIKTHAG-UHFFFAOYSA-N
XLogP2.31
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 147235272
1-(4-morpholin-4-ylpiperidin-1-yl)-2-(6-pyrazin-2-ylisoquinolin-3-yl)ethanone
CID 158885542
1-cyclopropyl-2-[6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone
CID 158014450
3-morpholin-4-yl-N-(6-pyrazin-2-ylcinnolin-3-yl)cyclobutane-1-carboxamide
CID 138590974
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158814116
1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one
CID 158842196
1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158116535
1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 153200393
1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160782355
1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147432485
1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159856629
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]ethanone
CID 147197229

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone?
The IUPAC name of 1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone (CID 159161643) is 1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone.
What is the SMILES notation for 1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone?
The canonical SMILES for 1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone is O=C(Cc1cc2cc(-c3cnccn3)ncc2cn1)C1CC(N2CCOCC2)C1.
What is the InChIKey of 1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone?
The InChIKey is KKOGAOKGIKTHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22(16-8-19(9-16)27-3-5-29-6-4-27)11-18-7-15-10-20(21-14-23-1-2-24-21)26-13-17(15)12-25-18/h1-2,7,10,12-14,16,19H,3-6,8-9,11H2.
What are the key properties of 1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone?
1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone has a molecular weight of 389.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone is sourced from PubChem (CID 159161643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).