[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone

C27H28FN5O2 — CID 67158286

IUPAC[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cnc(CC3CCCCN3C(=O)c3nn(C)cc3-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C27H28FN5O2/c1-32-17-23(18-9-11-20(28)12-10-18)26(31-32)27(34)33-13-4-3-7-21(33)15-25-29-16-24(30-25)19-6-5-8-22(14-19)35-2/h5-6,8-12,14,16-17,21H,3-4,7,13,15H2,1-2H3,(H,29,30)
InChIKeyXENVYPCXUKKKLD-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.86
Rot. Bonds6

About [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone

[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 67158286) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID67158286
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cnc(CC3CCCCN3C(=O)c3nn(C)cc3-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C27H28FN5O2/c1-32-17-23(18-9-11-20(28)12-10-18)26(31-32)27(34)33-13-4-3-7-21(33)15-25-29-16-24(30-25)19-6-5-8-22(14-19)35-2/h5-6,8-12,14,16-17,21H,3-4,7,13,15H2,1-2H3,(H,29,30)
InChIKeyXENVYPCXUKKKLD-UHFFFAOYSA-N
XLogP4.86
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone (CID 67158286) is [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone is COc1cccc(-c2cnc(CC3CCCCN3C(=O)c3nn(C)cc3-c3ccc(F)cc3)[nH]2)c1.
What is the InChIKey of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is XENVYPCXUKKKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-32-17-23(18-9-11-20(28)12-10-18)26(31-32)27(34)33-13-4-3-7-21(33)15-25-29-16-24(30-25)19-6-5-8-22(14-19)35-2/h5-6,8-12,14,16-17,21H,3-4,7,13,15H2,1-2H3,(H,29,30).
What are the key properties of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?
[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 473.55 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 67158286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).