[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone

C21H22FN5O2 — CID 146042466

IUPAC[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3nc(-c4ccc(F)cc4)[nH]c3C)CC2)cn1
InChIInChI=1S/C21H22FN5O2/c1-14-19(25-20(24-14)15-3-5-16(22)6-4-15)21(28)27-11-9-26(10-12-27)17-7-8-18(29-2)23-13-17/h3-8,13H,9-12H2,1-2H3,(H,24,25)
InChIKeyVNPDYAXPXIYYOY-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.89
Rot. Bonds4

About [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone

[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone (PubChem CID 146042466) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone
PubChem CID146042466
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3nc(-c4ccc(F)cc4)[nH]c3C)CC2)cn1
InChIInChI=1S/C21H22FN5O2/c1-14-19(25-20(24-14)15-3-5-16(22)6-4-15)21(28)27-11-9-26(10-12-27)17-7-8-18(29-2)23-13-17/h3-8,13H,9-12H2,1-2H3,(H,24,25)
InChIKeyVNPDYAXPXIYYOY-UHFFFAOYSA-N
XLogP2.89
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 23110200
[1-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 146039511
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 10023598
6-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 146045935
[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164693392
5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 146043505
[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 146045217
(2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 84575957
N-[(3aS,5R,6R,7aR)-2-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172662901
1-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]propane-1-thione
CID 89000502
6-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157014979
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 99635559

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone (CID 146042466) is [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(F)cc4)[nH]c3C)CC2)cn1.
What is the InChIKey of [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is VNPDYAXPXIYYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-14-19(25-20(24-14)15-3-5-16(22)6-4-15)21(28)27-11-9-26(10-12-27)17-7-8-18(29-2)23-13-17/h3-8,13H,9-12H2,1-2H3,(H,24,25).
What are the key properties of [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone?
[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 395.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146042466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).