[2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C21H22FN5O2 — CID 110270298

IUPAC[2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCc1cc(Oc2ccc(F)cc2)nc(C2CCCCN2C(=O)c2ccnn2C)n1
InChIInChI=1S/C21H22FN5O2/c1-14-13-19(29-16-8-6-15(22)7-9-16)25-20(24-14)17-5-3-4-12-27(17)21(28)18-10-11-23-26(18)2/h6-11,13,17H,3-5,12H2,1-2H3
InChIKeyMRPROYWYHJVZEB-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.82
Rot. Bonds4

About [2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 110270298) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is [2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID110270298
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name[2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCc1cc(Oc2ccc(F)cc2)nc(C2CCCCN2C(=O)c2ccnn2C)n1
InChIInChI=1S/C21H22FN5O2/c1-14-13-19(29-16-8-6-15(22)7-9-16)25-20(24-14)17-5-3-4-12-27(17)21(28)18-10-11-23-26(18)2/h6-11,13,17H,3-5,12H2,1-2H3
InChIKeyMRPROYWYHJVZEB-UHFFFAOYSA-N
XLogP3.82
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 95844232
1-[(2S)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95843343
[(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 124983115
cyclopropyl-[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95843562
[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95843599
(1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110270227
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247737
[2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 110092245
(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 110270300
1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110270143
1-[3-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110256208
[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110118434

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 110270298) is [2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cc1cc(Oc2ccc(F)cc2)nc(C2CCCCN2C(=O)c2ccnn2C)n1.
What is the InChIKey of [2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is MRPROYWYHJVZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-14-13-19(29-16-8-6-15(22)7-9-16)25-20(24-14)17-5-3-4-12-27(17)21(28)18-10-11-23-26(18)2/h6-11,13,17H,3-5,12H2,1-2H3.
What are the key properties of [2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 395.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110270298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).