(3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

C22H23F2N3O — CID 164636398

IUPAC(3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESO=C(c1ncc(F)cc1F)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C22H23F2N3O/c23-17-9-20(24)21(25-10-17)22(28)27-12-14-5-6-18(27)13-26(11-14)19-7-15-3-1-2-4-16(15)8-19/h1-4,9-10,14,18-19H,5-8,11-13H2/t14-,18+/m1/s1
InChIKeyGEQJLWOAMMTSLN-KDOFPFPSSA-N
MW383.44 g/mol
LogP3.06
Rot. Bonds2

About (3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone

(3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (PubChem CID 164636398) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is (3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.

Molecular Properties

Compound Name(3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
PubChem CID164636398
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name(3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
SMILESO=C(c1ncc(F)cc1F)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C22H23F2N3O/c23-17-9-20(24)21(25-10-17)22(28)27-12-14-5-6-18(27)13-26(11-14)19-7-15-3-1-2-4-16(15)8-19/h1-4,9-10,14,18-19H,5-8,11-13H2/t14-,18+/m1/s1
InChIKeyGEQJLWOAMMTSLN-KDOFPFPSSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone with MolForge

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Related Compounds

Pyridin-2-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone
CID 56789032
4-(4-Fluorobenzyl)-1-[(5-fluoropyridin-2-yl)carbonyl]-3-isopropyl-1,4-diazepan-5-one
CID 56863921
1-{1-[(3,5-Difluoro-2-pyridinyl)carbonyl]-3-piperidinyl}-3-phenyl-1-propanone
CID 70733923
1-[(3,5-Difluoro-2-pyridinyl)carbonyl]-2-methyl-4-(2-methylphenyl)piperazine
CID 70762004
[(4R,4aR,9aR)-5-methyl-4-phenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-1-yl]-pyridin-2-ylmethanone
CID 92608276
(1S*,5R*)-6-(3-cyclopentylpropanoyl)-3-(2-pyridinylcarbonyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133120932
(1S*,5R*)-3-(2-pyridinylcarbonyl)-6-(4,4,4-trifluorobutanoyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133124353
(1R*,5R*)-6-(2,5-difluorobenzyl)-3-(3-pyridinylcarbonyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133133747
[4-[[2-(2-Fluorophenyl)phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 134804045
[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-pyrrol-2-yl)methanone
CID 155540314
[3-(4-Fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-2-ylmethanone
CID 16668636
N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyridine-2-carboxamide
CID 42941210

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The IUPAC name of (3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone (CID 164636398) is (3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone.
What is the SMILES notation for (3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The canonical SMILES for (3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is O=C(c1ncc(F)cc1F)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2.
What is the InChIKey of (3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
The InChIKey is GEQJLWOAMMTSLN-KDOFPFPSSA-N. The full InChI is InChI=1S/C22H23F2N3O/c23-17-9-20(24)21(25-10-17)22(28)27-12-14-5-6-18(27)13-26(11-14)19-7-15-3-1-2-4-16(15)8-19/h1-4,9-10,14,18-19H,5-8,11-13H2/t14-,18+/m1/s1.
What are the key properties of (3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone?
(3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone has a molecular weight of 383.44 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone is sourced from PubChem (CID 164636398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).