[2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone

C26H25FN6O — CID 110152225

IUPAC[2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccnc(Cc2cccc(F)c2)c1)N1CCC(Cc2cnc(-c3ncc[nH]3)cn2)CC1
InChIInChI=1S/C26H25FN6O/c27-21-3-1-2-19(12-21)14-22-15-20(4-7-28-22)26(34)33-10-5-18(6-11-33)13-23-16-32-24(17-31-23)25-29-8-9-30-25/h1-4,7-9,12,15-18H,5-6,10-11,13-14H2,(H,29,30)
InChIKeyIELIWFKSYGLFPG-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.09
Rot. Bonds6

About [2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone

[2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 110152225) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID110152225
Molecular FormulaC26H25FN6O
Molecular Weight456.53 g/mol
Exact Mass456.21
IUPAC Name[2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccnc(Cc2cccc(F)c2)c1)N1CCC(Cc2cnc(-c3ncc[nH]3)cn2)CC1
InChIInChI=1S/C26H25FN6O/c27-21-3-1-2-19(12-21)14-22-15-20(4-7-28-22)26(34)33-10-5-18(6-11-33)13-23-16-32-24(17-31-23)25-29-8-9-30-25/h1-4,7-9,12,15-18H,5-6,10-11,13-14H2,(H,29,30)
InChIKeyIELIWFKSYGLFPG-UHFFFAOYSA-N
XLogP4.09
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124949279
1-[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 124951805
1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide
CID 110090407
1-[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125002279
[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124986992
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 129453940
[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95810149
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-[(3-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 129455330
2-cyclohexyl-1-[(3S)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125004635
2-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(1H-imidazol-2-yl)pyrazine
CID 110109890
[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-[2-[(3-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 110133490
[(3S)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 125019766

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of [2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone (CID 110152225) is [2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone is O=C(c1ccnc(Cc2cccc(F)c2)c1)N1CCC(Cc2cnc(-c3ncc[nH]3)cn2)CC1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is IELIWFKSYGLFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O/c27-21-3-1-2-19(12-21)14-22-15-20(4-7-28-22)26(34)33-10-5-18(6-11-33)13-23-16-32-24(17-31-23)25-29-8-9-30-25/h1-4,7-9,12,15-18H,5-6,10-11,13-14H2,(H,29,30).
What are the key properties of [2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
[2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 456.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]-4-pyridinyl]-[4-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110152225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).