[(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone

C23H25FN4O2 — CID 96533760

IUPAC[(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cn1
InChIInChI=1S/C23H25FN4O2/c1-15(2)30-21-10-9-17(13-25-21)23(29)28-11-4-3-8-20(28)22-26-14-19(27-22)16-6-5-7-18(24)12-16/h5-7,9-10,12-15,20H,3-4,8,11H2,1-2H3,(H,26,27)/t20-/m1/s1
InChIKeyLRWFJSWGAMIQHI-HXUWFJFHSA-N
MW408.48 g/mol
LogP4.77
Rot. Bonds5

About [(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone

[(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 96533760) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is [(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID96533760
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name[(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cn1
InChIInChI=1S/C23H25FN4O2/c1-15(2)30-21-10-9-17(13-25-21)23(29)28-11-4-3-8-20(28)22-26-14-19(27-22)16-6-5-7-18(24)12-16/h5-7,9-10,12-15,20H,3-4,8,11H2,1-2H3,(H,26,27)/t20-/m1/s1
InChIKeyLRWFJSWGAMIQHI-HXUWFJFHSA-N
XLogP4.77
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096469
[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 97018716
3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide
CID 86945296
4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one
CID 154833142
4-[4-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]phenyl]butan-2-one
CID 86945325
2-methoxy-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 146152365
[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97009815
1-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 138046241
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679
[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125002811
(4-chlorophenyl)-[(2S)-2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95816601
cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
CID 95630311

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of [(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone (CID 96533760) is [(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for [(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for [(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone is CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cn1.
What is the InChIKey of [(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is LRWFJSWGAMIQHI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-15(2)30-21-10-9-17(13-25-21)23(29)28-11-4-3-8-20(28)22-26-14-19(27-22)16-6-5-7-18(24)12-16/h5-7,9-10,12-15,20H,3-4,8,11H2,1-2H3,(H,26,27)/t20-/m1/s1.
What are the key properties of [(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone?
[(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 408.48 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 96533760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).