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

C26H25F2N5O — CID 69372507

IUPAC[2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
SMILESCn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2[C@H](c2ccc(F)cc2)c2ncc[nH]2)n1
InChIInChI=1S/C26H25F2N5O/c1-32-16-21(17-5-9-19(27)10-6-17)24(31-32)26(34)33-15-3-2-4-22(33)23(25-29-13-14-30-25)18-7-11-20(28)12-8-18/h5-14,16,22-23H,2-4,15H2,1H3,(H,29,30)/t22?,23-/m0/s1
InChIKeySFEWCNDBENFRKS-WCSIJFPASA-N
MW461.52 g/mol
LogP4.92
Rot. Bonds5

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

[2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone (PubChem CID 69372507) has the molecular formula C26H25F2N5O and a molecular weight of 461.52 g/mol. Its IUPAC name is [2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
PubChem CID69372507
Molecular FormulaC26H25F2N5O
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name[2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
SMILESCn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2[C@H](c2ccc(F)cc2)c2ncc[nH]2)n1
InChIInChI=1S/C26H25F2N5O/c1-32-16-21(17-5-9-19(27)10-6-17)24(31-32)26(34)33-15-3-2-4-22(33)23(25-29-13-14-30-25)18-7-11-20(28)12-8-18/h5-14,16,22-23H,2-4,15H2,1H3,(H,29,30)/t22?,23-/m0/s1
InChIKeySFEWCNDBENFRKS-WCSIJFPASA-N
XLogP4.92
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
The IUPAC name of [2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone (CID 69372507) is [2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone.
What is the SMILES notation for [2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
The canonical SMILES for [2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone is Cn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2[C@H](c2ccc(F)cc2)c2ncc[nH]2)n1.
What is the InChIKey of [2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
The InChIKey is SFEWCNDBENFRKS-WCSIJFPASA-N. The full InChI is InChI=1S/C26H25F2N5O/c1-32-16-21(17-5-9-19(27)10-6-17)24(31-32)26(34)33-15-3-2-4-22(33)23(25-29-13-14-30-25)18-7-11-20(28)12-8-18/h5-14,16,22-23H,2-4,15H2,1H3,(H,29,30)/t22?,23-/m0/s1.
What are the key properties of [2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
[2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone has a molecular weight of 461.52 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone is sourced from PubChem (CID 69372507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).