[(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone

C22H23F2N3O — CID 72880849

IUPAC[(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)n1
InChIInChI=1S/C22H23F2N3O/c1-13-3-2-4-19(25-13)22(28)27-12-18(15-9-16(23)11-17(24)10-15)21-20(27)14-5-7-26(21)8-6-14/h2-4,9-11,14,18,20-21H,5-8,12H2,1H3/t18-,20+,21+/m0/s1
InChIKeyORXJLPDWMYEITI-CEWLAPEOSA-N
MW383.44 g/mol
LogP3.37
Rot. Bonds2

About [(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone

[(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 72880849) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is [(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID72880849
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name[(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)n1
InChIInChI=1S/C22H23F2N3O/c1-13-3-2-4-19(25-13)22(28)27-12-18(15-9-16(23)11-17(24)10-15)21-20(27)14-5-7-26(21)8-6-14/h2-4,9-11,14,18,20-21H,5-8,12H2,1H3/t18-,20+,21+/m0/s1
InChIKeyORXJLPDWMYEITI-CEWLAPEOSA-N
XLogP3.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone with MolForge

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Related Compounds

(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
Pyridine amide, 32
CID 44237006
Pyridine amide, 33
CID 44237007
1-[4-[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 24992397
1-(4-(4-(4-(2,6-Dip-tolylisonicotinoyl)piperazin-1-yl)piperidine-1-carbonyl)piperidin-1-yl)ethanone
CID 45375926
Cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 46879495
1-[4-[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 46879498
(1-Benzoylpiperidin-4-yl)-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 46879499
4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 46879506
1-[4-[4-[4-[2,6-Bis(3-fluorophenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 46879508
1-[4-[4-[4-[2-(4-Fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 46879509
(5-(Aminomethyl)-4-(4-fluorophenyl)-6-methylpyridin-2-yl)(pyrrolidin-1-yl)methanone
CID 51356958

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone (CID 72880849) is [(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)n1.
What is the InChIKey of [(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is ORXJLPDWMYEITI-CEWLAPEOSA-N. The full InChI is InChI=1S/C22H23F2N3O/c1-13-3-2-4-19(25-13)22(28)27-12-18(15-9-16(23)11-17(24)10-15)21-20(27)14-5-7-26(21)8-6-14/h2-4,9-11,14,18,20-21H,5-8,12H2,1H3/t18-,20+,21+/m0/s1.
What are the key properties of [(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone?
[(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 383.44 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 72880849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).