[(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone

C19H24F2N4O2 — CID 166892442

IUPAC[(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESC[C@H]1[C@@H](OC2CCC(F)CC2)CN1C(=O)N1N=CC[C@H]1c1cncc(F)c1
InChIInChI=1S/C19H24F2N4O2/c1-12-18(27-16-4-2-14(20)3-5-16)11-24(12)19(26)25-17(6-7-23-25)13-8-15(21)10-22-9-13/h7-10,12,14,16-18H,2-6,11H2,1H3/t12-,14?,16?,17-,18-/m0/s1
InChIKeyXUGYNXIUFZXBTB-GZMMWRDXSA-N
MW378.42 g/mol
LogP3.44
Rot. Bonds3

About [(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone

[(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 166892442) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is [(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name[(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID166892442
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name[(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESC[C@H]1[C@@H](OC2CCC(F)CC2)CN1C(=O)N1N=CC[C@H]1c1cncc(F)c1
InChIInChI=1S/C19H24F2N4O2/c1-12-18(27-16-4-2-14(20)3-5-16)11-24(12)19(26)25-17(6-7-23-25)13-8-15(21)10-22-9-13/h7-10,12,14,16-18H,2-6,11H2,1H3/t12-,14?,16?,17-,18-/m0/s1
InChIKeyXUGYNXIUFZXBTB-GZMMWRDXSA-N
XLogP3.44
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
CID 169028208
[(2R,3S)-3-[(5-fluoro-1,2-dihydropyridin-2-yl)oxy]-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
CID 169028220
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2R,3S)-3-(4-fluorocyclohexa-2,4-dien-1-yl)oxy-2-methylazetidin-1-yl]methanone
CID 166892473
cyclohexyl-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
CID 122703708
[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone
CID 150331013
[3-[[5-fluoro-2-(1-methylimidazol-2-yl)-4-pyridinyl]oxy]azetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
CID 167187535
5-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 175196380
[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone
CID 156785737
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone
CID 159933537
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3,5-difluoro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 151475313
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone
CID 166747232
[3-[[2-(2-ethylpyrazol-3-yl)-5-fluoro-4-pyridinyl]oxy]azetidin-1-yl]-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone
CID 167187511

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of [(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone (CID 166892442) is [(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for [(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for [(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone is C[C@H]1[C@@H](OC2CCC(F)CC2)CN1C(=O)N1N=CC[C@H]1c1cncc(F)c1.
What is the InChIKey of [(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is XUGYNXIUFZXBTB-GZMMWRDXSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-12-18(27-16-4-2-14(20)3-5-16)11-24(12)19(26)25-17(6-7-23-25)13-8-15(21)10-22-9-13/h7-10,12,14,16-18H,2-6,11H2,1H3/t12-,14?,16?,17-,18-/m0/s1.
What are the key properties of [(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone?
[(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 378.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-(4-fluorocyclohexyl)oxy-2-methylazetidin-1-yl]-[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 166892442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).