[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

C25H23F2N5O — CID 67158358

IUPAC[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1[nH]ncc1-c1ccc(F)cc1)N1CCCC[C@H]1Cc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C25H23F2N5O/c26-18-8-4-16(5-9-18)21-14-29-31-24(21)25(33)32-12-2-1-3-20(32)13-23-28-15-22(30-23)17-6-10-19(27)11-7-17/h4-11,14-15,20H,1-3,12-13H2,(H,28,30)(H,29,31)/t20-/m0/s1
InChIKeyAXWBDLUCFWDWGS-FQEVSTJZSA-N
MW447.49 g/mol
LogP4.98
Rot. Bonds5

About [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 67158358) has the molecular formula C25H23F2N5O and a molecular weight of 447.49 g/mol. Its IUPAC name is [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
PubChem CID67158358
Molecular FormulaC25H23F2N5O
Molecular Weight447.49 g/mol
Exact Mass447.19
IUPAC Name[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1[nH]ncc1-c1ccc(F)cc1)N1CCCC[C@H]1Cc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C25H23F2N5O/c26-18-8-4-16(5-9-18)21-14-29-31-24(21)25(33)32-12-2-1-3-20(32)13-23-28-15-22(30-23)17-6-10-19(27)11-7-17/h4-11,14-15,20H,1-3,12-13H2,(H,28,30)(H,29,31)/t20-/m0/s1
InChIKeyAXWBDLUCFWDWGS-FQEVSTJZSA-N
XLogP4.98
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67158229
tert-butyl 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidine-1-carboxylate
CID 91219511
[2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 23146405
[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 67158401
[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 10299463
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 67090216
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
CID 67157832
6,7-difluoro-2-[[(2S)-1-[4-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-2-yl]methylamino]quinoline-3-carbonitrile
CID 67090091
[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67158479
2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid
CID 126441361
1-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 138046241
1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]isoquinoline-3-carbaldehyde
CID 87290407

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (CID 67158358) is [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is O=C(c1[nH]ncc1-c1ccc(F)cc1)N1CCCC[C@H]1Cc1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is AXWBDLUCFWDWGS-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H23F2N5O/c26-18-8-4-16(5-9-18)21-14-29-31-24(21)25(33)32-12-2-1-3-20(32)13-23-28-15-22(30-23)17-6-10-19(27)11-7-17/h4-11,14-15,20H,1-3,12-13H2,(H,28,30)(H,29,31)/t20-/m0/s1.
What are the key properties of [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 447.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 67158358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).