[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C23H23FN4O — CID 92616678

IUPAC[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)cn1
InChIInChI=1S/C23H23FN4O/c1-16-13-26-22(15-25-16)23(29)28-10-8-19(9-11-28)21-7-4-18(14-27-21)12-17-2-5-20(24)6-3-17/h2-7,13-15,19H,8-12H2,1H3
InChIKeyBLRHOLFWCDBCMS-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.93
Rot. Bonds4

About [4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 92616678) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is [4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID92616678
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)cn1
InChIInChI=1S/C23H23FN4O/c1-16-13-26-22(15-25-16)23(29)28-10-8-19(9-11-28)21-7-4-18(14-27-21)12-17-2-5-20(24)6-3-17/h2-7,13-15,19H,8-12H2,1H3
InChIKeyBLRHOLFWCDBCMS-UHFFFAOYSA-N
XLogP3.93
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 110093431
[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110264021
1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 92616712
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 125009992
(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 1031755
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122279513
(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92615288
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124952519
N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956843
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 93240243
N-(4-fluorophenyl)-1-methyl-3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637540
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 92616678) is [4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)cn1.
What is the InChIKey of [4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is BLRHOLFWCDBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-16-13-26-22(15-25-16)23(29)28-10-8-19(9-11-28)21-7-4-18(14-27-21)12-17-2-5-20(24)6-3-17/h2-7,13-15,19H,8-12H2,1H3.
What are the key properties of [4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 390.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 92616678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).