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

C24H27FN4O2 — CID 159695966

IUPAC1-[(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
SMILESCc1ncc(-c2ccc3nnc(CC(=O)N4[C@@H]5CC[C@H]4CC(CCCF)C5)cc3c2)o1
InChIInChI=1S/C24H27FN4O2/c1-15-26-14-23(31-15)17-4-7-22-18(11-17)12-19(27-28-22)13-24(30)29-20-5-6-21(29)10-16(9-20)3-2-8-25/h4,7,11-12,14,16,20-21H,2-3,5-6,8-10,13H2,1H3/t16?,20-,21+
InChIKeyMWZYBFMOTXGDHV-QKUVIELKSA-N
MW422.50 g/mol
LogP4.66
Rot. Bonds6

About 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

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 (PubChem CID 159695966) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID159695966
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name1-[(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
SMILESCc1ncc(-c2ccc3nnc(CC(=O)N4[C@@H]5CC[C@H]4CC(CCCF)C5)cc3c2)o1
InChIInChI=1S/C24H27FN4O2/c1-15-26-14-23(31-15)17-4-7-22-18(11-17)12-19(27-28-22)13-24(30)29-20-5-6-21(29)10-16(9-20)3-2-8-25/h4,7,11-12,14,16,20-21H,2-3,5-6,8-10,13H2,1H3/t16?,20-,21+
InChIKeyMWZYBFMOTXGDHV-QKUVIELKSA-N
XLogP4.66
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 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-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
CID 153271778
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-[(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
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-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one
CID 148679772
4-(1,3-difluoropropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138588241
4-(1,3-difluoropropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138587043
4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138588499
(1R,5S)-3-(2,2-difluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138580317
2-[6-(2,3-dimethylimidazol-4-yl)cinnolin-3-yl]-1-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethanone
CID 149112058
3-(1,3-difluoropropan-2-ylamino)-N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138604857

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncc(-c2ccc3nnc(CC(=O)N4[C@@H]5CC[C@H]4CC(CCCF)C5)cc3c2)o1.
What is the InChIKey of 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?
The InChIKey is MWZYBFMOTXGDHV-QKUVIELKSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-15-26-14-23(31-15)17-4-7-22-18(11-17)12-19(27-28-22)13-24(30)29-20-5-6-21(29)10-16(9-20)3-2-8-25/h4,7,11-12,14,16,20-21H,2-3,5-6,8-10,13H2,1H3/t16?,20-,21+.
What are the key properties of 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?
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 has a molecular weight of 422.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159695966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).