1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone

C28H27FN4O2 — CID 58431631

IUPAC1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCc1cc(C(=O)Cc2ccc(N3CCC(O)(c4ccccc4)CC3)nc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C28H27FN4O2/c1-20-17-25(31-33(20)24-10-8-23(29)9-11-24)26(34)18-21-7-12-27(30-19-21)32-15-13-28(35,14-16-32)22-5-3-2-4-6-22/h2-12,17,19,35H,13-16,18H2,1H3
InChIKeyZFSAFOMKIWJTCQ-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.63
Rot. Bonds6

About 1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone

1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone (PubChem CID 58431631) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone
PubChem CID58431631
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC Name1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone
SMILESCc1cc(C(=O)Cc2ccc(N3CCC(O)(c4ccccc4)CC3)nc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C28H27FN4O2/c1-20-17-25(31-33(20)24-10-8-23(29)9-11-24)26(34)18-21-7-12-27(30-19-21)32-15-13-28(35,14-16-32)22-5-3-2-4-6-22/h2-12,17,19,35H,13-16,18H2,1H3
InChIKeyZFSAFOMKIWJTCQ-UHFFFAOYSA-N
XLogP4.63
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone with MolForge

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Related Compounds

6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
6-(4-Fluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600249
2-{5-[4-(dimethylamino)phenyl]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
CID 90204242
2-(5-methyl-4-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 90204980
1-Pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2999822
4-[4-(Diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328408
4-[4-(Dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328412
1,4-Diphenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328488
US10239838, Example 24
CID 121413934
US10239838, Example 49
CID 121413990
6-(4-Fluorophenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 9534565
2-[[3-Ethyl-4-(2-fluoro-3-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrazol-5-yl]amino]-5-methylbenzoic acid
CID 16660801

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone (CID 58431631) is 1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone is Cc1cc(C(=O)Cc2ccc(N3CCC(O)(c4ccccc4)CC3)nc2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is ZFSAFOMKIWJTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c1-20-17-25(31-33(20)24-10-8-23(29)9-11-24)26(34)18-21-7-12-27(30-19-21)32-15-13-28(35,14-16-32)22-5-3-2-4-6-22/h2-12,17,19,35H,13-16,18H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone?
1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 470.55 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 58431631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).