[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C22H23FN4O — CID 95816441

IUPAC[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1
InChIInChI=1S/C22H23FN4O/c1-15-11-17(12-16-4-6-19(23)7-5-16)13-21(25-15)18-3-2-10-27(14-18)22(28)20-8-9-24-26-20/h4-9,11,13,18H,2-3,10,12,14H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeySXBOADPDDCFJAT-SFHVURJKSA-N
MW378.45 g/mol
LogP3.86
Rot. Bonds4

About [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 95816441) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID95816441
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1
InChIInChI=1S/C22H23FN4O/c1-15-11-17(12-16-4-6-19(23)7-5-16)13-21(25-15)18-3-2-10-27(14-18)22(28)20-8-9-24-26-20/h4-9,11,13,18H,2-3,10,12,14H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeySXBOADPDDCFJAT-SFHVURJKSA-N
XLogP3.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816331
[2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110252773
4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95814535
[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110253819
[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95814285
1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95834730
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95819254
N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110264862
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97313996
[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249747
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 110091836
[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249761

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 95816441) is [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1.
What is the InChIKey of [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is SXBOADPDDCFJAT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-15-11-17(12-16-4-6-19(23)7-5-16)13-21(25-15)18-3-2-10-27(14-18)22(28)20-8-9-24-26-20/h4-9,11,13,18H,2-3,10,12,14H2,1H3,(H,24,26)/t18-/m0/s1.
What are the key properties of [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 378.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 95816441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).