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

C21H21FN4O — CID 95810149

IUPAC[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1
InChIInChI=1S/C21H21FN4O/c22-17-4-1-3-15(13-17)14-18-5-2-6-19(24-18)16-8-11-26(12-9-16)21(27)20-7-10-23-25-20/h1-7,10,13,16H,8-9,11-12,14H2,(H,23,25)
InChIKeyVYUHNBORHMVVIC-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.55
Rot. Bonds4

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

[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 95810149) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID95810149
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1
InChIInChI=1S/C21H21FN4O/c22-17-4-1-3-15(13-17)14-18-5-2-6-19(24-18)16-8-11-26(12-9-16)21(27)20-7-10-23-25-20/h1-7,10,13,16H,8-9,11-12,14H2,(H,23,25)
InChIKeyVYUHNBORHMVVIC-UHFFFAOYSA-N
XLogP3.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110254646
[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249761
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95809871
2-(dimethylamino)-1-[(3S)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810466
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110249457
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 155981275
2-[(3-fluorophenyl)methyl]-6-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine
CID 95810773
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249321
[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone
CID 124995992

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 95810149) is [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1.
What is the InChIKey of [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is VYUHNBORHMVVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-17-4-1-3-15(13-17)14-18-5-2-6-19(24-18)16-8-11-26(12-9-16)21(27)20-7-10-23-25-20/h1-7,10,13,16H,8-9,11-12,14H2,(H,23,25).
What are the key properties of [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 364.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 95810149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).