1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone

C21H23N5O2 — CID 158047318

IUPAC1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCc1ncc(-c2cnc3cnc(CC(=O)N4[C@@H]5CC[C@H]4CC(N)C5)cc3c2)o1
InChIInChI=1S/C21H23N5O2/c1-12-23-11-20(28-12)14-4-13-5-16(24-10-19(13)25-9-14)8-21(27)26-17-2-3-18(26)7-15(22)6-17/h4-5,9-11,15,17-18H,2-3,6-8,22H2,1H3/t15?,17-,18+
InChIKeyFJBMHUPFUFIRAH-ZNXRZULTSA-N
MW377.45 g/mol
LogP2.62
Rot. Bonds3

About 1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone

1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone (PubChem CID 158047318) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
PubChem CID158047318
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCc1ncc(-c2cnc3cnc(CC(=O)N4[C@@H]5CC[C@H]4CC(N)C5)cc3c2)o1
InChIInChI=1S/C21H23N5O2/c1-12-23-11-20(28-12)14-4-13-5-16(24-10-19(13)25-9-14)8-21(27)26-17-2-3-18(26)7-15(22)6-17/h4-5,9-11,15,17-18H,2-3,6-8,22H2,1H3/t15?,17-,18+
InChIKeyFJBMHUPFUFIRAH-ZNXRZULTSA-N
XLogP2.62
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone with MolForge

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Related Compounds

1-[(1R,5S)-3-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 159600305
1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
CID 158638377
1-[(1R,5S)-3-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
CID 159695966
1-[(1R,5S)-3-(3-fluorobutyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
CID 158638381
1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 153101172
2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone
CID 157130242
(1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138587389
1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 148771376
1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one
CID 158944256
1-cyclopropyl-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 146828434
N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-4-[methyl(oxetan-3-yl)amino]cyclohexane-1-carboxamide
CID 138605012
4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
CID 138587578

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone (CID 158047318) is 1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone is Cc1ncc(-c2cnc3cnc(CC(=O)N4[C@@H]5CC[C@H]4CC(N)C5)cc3c2)o1.
What is the InChIKey of 1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is FJBMHUPFUFIRAH-ZNXRZULTSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-12-23-11-20(28-12)14-4-13-5-16(24-10-19(13)25-9-14)8-21(27)26-17-2-3-18(26)7-15(22)6-17/h4-5,9-11,15,17-18H,2-3,6-8,22H2,1H3/t15?,17-,18+.
What are the key properties of 1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 377.45 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 158047318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).