[(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone

C27H26FN5O2 — CID 124983115

IUPAC[(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
SMILESCc1cc(Oc2ccc(F)cc2)nc([C@H]2CCCCN2C(=O)c2ccccc2Cn2ccnc2)n1
InChIInChI=1S/C27H26FN5O2/c1-19-16-25(35-22-11-9-21(28)10-12-22)31-26(30-19)24-8-4-5-14-33(24)27(34)23-7-3-2-6-20(23)17-32-15-13-29-18-32/h2-3,6-7,9-13,15-16,18,24H,4-5,8,14,17H2,1H3/t24-/m1/s1
InChIKeyNBQLORHZKMPFGQ-XMMPIXPASA-N
MW471.54 g/mol
LogP5.33
Rot. Bonds6

About [(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone

[(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone (PubChem CID 124983115) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is [(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
PubChem CID124983115
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name[(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
SMILESCc1cc(Oc2ccc(F)cc2)nc([C@H]2CCCCN2C(=O)c2ccccc2Cn2ccnc2)n1
InChIInChI=1S/C27H26FN5O2/c1-19-16-25(35-22-11-9-21(28)10-12-22)31-26(30-19)24-8-4-5-14-33(24)27(34)23-7-3-2-6-20(23)17-32-15-13-29-18-32/h2-3,6-7,9-13,15-16,18,24H,4-5,8,14,17H2,1H3/t24-/m1/s1
InChIKeyNBQLORHZKMPFGQ-XMMPIXPASA-N
XLogP5.33
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(imidazol-1-ylmethyl)phenyl]-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]methanone
CID 129455506
[3-(imidazol-1-ylmethyl)phenyl]-[(2S)-2-[4-methyl-6-(4-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 125003401
[(2R)-2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[3-(imidazol-1-ylmethyl)phenyl]methanone
CID 129457642
[3-(imidazol-1-ylmethyl)phenyl]-[(2S)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 129455816
[(2S)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 95844232
[2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110270298
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 51595988
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 129454307
[3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 132772994
1-[(2S)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95843343
1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110270143
cyclopropyl-[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95843562

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone (CID 124983115) is [(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone is Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCCCN2C(=O)c2ccccc2Cn2ccnc2)n1.
What is the InChIKey of [(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone?
The InChIKey is NBQLORHZKMPFGQ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-19-16-25(35-22-11-9-21(28)10-12-22)31-26(30-19)24-8-4-5-14-33(24)27(34)23-7-3-2-6-20(23)17-32-15-13-29-18-32/h2-3,6-7,9-13,15-16,18,24H,4-5,8,14,17H2,1H3/t24-/m1/s1.
What are the key properties of [(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone?
[(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone has a molecular weight of 471.54 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 124983115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).