[2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone

C24H27FN4O — CID 110092245

IUPAC[2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCc1cc(-c2ccc(F)cc2)cc(C2CCCCN2C(=O)c2ccnn2C(C)C)n1
InChIInChI=1S/C24H27FN4O/c1-16(2)29-23(11-12-26-29)24(30)28-13-5-4-6-22(28)21-15-19(14-17(3)27-21)18-7-9-20(25)10-8-18/h7-12,14-16,22H,4-6,13H2,1-3H3
InChIKeyCNTNSZJSLLDOAJ-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.34
Rot. Bonds4

About [2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone

[2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 110092245) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
PubChem CID110092245
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name[2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCc1cc(-c2ccc(F)cc2)cc(C2CCCCN2C(=O)c2ccnn2C(C)C)n1
InChIInChI=1S/C24H27FN4O/c1-16(2)29-23(11-12-26-29)24(30)28-13-5-4-6-22(28)21-15-19(14-17(3)27-21)18-7-9-20(25)10-8-18/h7-12,14-16,22H,4-6,13H2,1-3H3
InChIKeyCNTNSZJSLLDOAJ-UHFFFAOYSA-N
XLogP5.34
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95830164
[2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110270298
4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 95830176
N-[[6-[1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107822
1-[4-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-3-methylbutan-1-one
CID 110091965
(4-fluorophenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731701
(4-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586683
[2-(6-methyl-4-phenyl-2-pyridinyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110092228
[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110118434
[(2R)-2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 92617769
2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone
CID 124972625
[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 97240212

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone (CID 110092245) is [2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone is Cc1cc(-c2ccc(F)cc2)cc(C2CCCCN2C(=O)c2ccnn2C(C)C)n1.
What is the InChIKey of [2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is CNTNSZJSLLDOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-16(2)29-23(11-12-26-29)24(30)28-13-5-4-6-22(28)21-15-19(14-17(3)27-21)18-7-9-20(25)10-8-18/h7-12,14-16,22H,4-6,13H2,1-3H3.
What are the key properties of [2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
[2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 406.51 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 110092245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).