[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone

C26H24FN5O2 — CID 129454307

IUPAC[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccccc1Cn1ccnc1)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1
InChIInChI=1S/C26H24FN5O2/c27-21-7-9-22(10-8-21)34-25-24(29-11-12-30-25)20-5-3-14-32(17-20)26(33)23-6-2-1-4-19(23)16-31-15-13-28-18-31/h1-2,4,6-13,15,18,20H,3,5,14,16-17H2/t20-/m0/s1
InChIKeyDKJYOABJJNVYGK-FQEVSTJZSA-N
MW457.51 g/mol
LogP4.67
Rot. Bonds6

About [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone

[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone (PubChem CID 129454307) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
PubChem CID129454307
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccccc1Cn1ccnc1)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1
InChIInChI=1S/C26H24FN5O2/c27-21-7-9-22(10-8-21)34-25-24(29-11-12-30-25)20-5-3-14-32(17-20)26(33)23-6-2-1-4-19(23)16-31-15-13-28-18-31/h1-2,4,6-13,15,18,20H,3,5,14,16-17H2/t20-/m0/s1
InChIKeyDKJYOABJJNVYGK-FQEVSTJZSA-N
XLogP4.67
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 132772994
[2-(imidazol-1-ylmethyl)phenyl]-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110149181
[2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150630
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129454205
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
[3-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 125015528
[3-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150633
1-[[3-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 129454621
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 129454072
[(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 124983115
2-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N-methylacetamide
CID 125006836
2-(1-ethylsulfonylpiperidin-3-yl)-3-(4-fluorophenoxy)pyrazine
CID 110256303

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone (CID 129454307) is [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone is O=C(c1ccccc1Cn1ccnc1)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone?
The InChIKey is DKJYOABJJNVYGK-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H24FN5O2/c27-21-7-9-22(10-8-21)34-25-24(29-11-12-30-25)20-5-3-14-32(17-20)26(33)23-6-2-1-4-19(23)16-31-15-13-28-18-31/h1-2,4,6-13,15,18,20H,3,5,14,16-17H2/t20-/m0/s1.
What are the key properties of [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone?
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone has a molecular weight of 457.51 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 129454307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).