azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone

C36H34F2N4O2 — CID 159512184

IUPACazetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1ccc(-c2ccc(F)cc2)nc1)N1CCC1.O=C([C@H]1C[C@@H]1c1ccc(-c2ccc(F)cc2)nc1)N1CCC1
InChIInChI=1S/2C18H17FN2O/c2*19-14-5-2-12(3-6-14)17-7-4-13(11-20-17)15-10-16(15)18(22)21-8-1-9-21/h2*2-7,11,15-16H,1,8-10H2/t2*15-,16+/m10/s1
InChIKeyMASYOFIDXWOVFW-CWHDKXGQSA-N
MW592.69 g/mol
LogP6.45
Rot. Bonds6

About azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone

azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone (PubChem CID 159512184) has the molecular formula C36H34F2N4O2 and a molecular weight of 592.69 g/mol. Its IUPAC name is azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
PubChem CID159512184
Molecular FormulaC36H34F2N4O2
Molecular Weight592.69 g/mol
Exact Mass592.26
IUPAC Nameazetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1ccc(-c2ccc(F)cc2)nc1)N1CCC1.O=C([C@H]1C[C@@H]1c1ccc(-c2ccc(F)cc2)nc1)N1CCC1
InChIInChI=1S/2C18H17FN2O/c2*19-14-5-2-12(3-6-14)17-7-4-13(11-20-17)15-10-16(15)18(22)21-8-1-9-21/h2*2-7,11,15-16H,1,8-10H2/t2*15-,16+/m10/s1
InChIKeyMASYOFIDXWOVFW-CWHDKXGQSA-N
XLogP6.45
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.69
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone with MolForge

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Related Compounds

2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride
CID 87545136
trans-(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxylic acid;dihydrochloride
CID 68710465
2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxylic acid;dihydrochloride
CID 68710463
2,3-dihydro-1,4-benzoxazin-4-yl-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone
CID 24988276
[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429835
N-ethyl-N-(2-fluorophenyl)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 68709871
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 119516884
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98774935
(3R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125132949
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559905
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896883

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone?
The IUPAC name of azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone (CID 159512184) is azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone.
What is the SMILES notation for azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone?
The canonical SMILES for azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone is O=C([C@@H]1C[C@H]1c1ccc(-c2ccc(F)cc2)nc1)N1CCC1.O=C([C@H]1C[C@@H]1c1ccc(-c2ccc(F)cc2)nc1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone?
The InChIKey is MASYOFIDXWOVFW-CWHDKXGQSA-N. The full InChI is InChI=1S/2C18H17FN2O/c2*19-14-5-2-12(3-6-14)17-7-4-13(11-20-17)15-10-16(15)18(22)21-8-1-9-21/h2*2-7,11,15-16H,1,8-10H2/t2*15-,16+/m10/s1.
What are the key properties of azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone?
azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone has a molecular weight of 592.69 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone;azetidin-1-yl-[(1S,2S)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]methanone is sourced from PubChem (CID 159512184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).