1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one

C22H26FN5O — CID 169413036

IUPAC1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccn(C)n2)CC1
InChIInChI=1S/C22H26FN5O/c1-15(2)22(29)27-12-8-18(9-13-27)28-14-24-20(16-4-6-17(23)7-5-16)21(28)19-10-11-26(3)25-19/h4-7,10-11,14-15,18H,8-9,12-13H2,1-3H3
InChIKeyFTLRCYZWSZJQOR-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.91
Rot. Bonds4

About 1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 169413036) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID169413036
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccn(C)n2)CC1
InChIInChI=1S/C22H26FN5O/c1-15(2)22(29)27-12-8-18(9-13-27)28-14-24-20(16-4-6-17(23)7-5-16)21(28)19-10-11-26(3)25-19/h4-7,10-11,14-15,18H,8-9,12-13H2,1-3H3
InChIKeyFTLRCYZWSZJQOR-UHFFFAOYSA-N
XLogP3.91
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 169413036) is 1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccn(C)n2)CC1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is FTLRCYZWSZJQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-15(2)22(29)27-12-8-18(9-13-27)28-14-24-20(16-4-6-17(23)7-5-16)21(28)19-10-11-26(3)25-19/h4-7,10-11,14-15,18H,8-9,12-13H2,1-3H3.
What are the key properties of 1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 395.48 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 169413036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).