2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide

C22H24FN5O — CID 53181022

IUPAC2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC1CCN(c2cc(-c3ccncc3)[nH]n2)CC1
InChIInChI=1S/C22H24FN5O/c23-19-3-1-2-17(12-19)13-22(29)25-15-16-6-10-28(11-7-16)21-14-20(26-27-21)18-4-8-24-9-5-18/h1-5,8-9,12,14,16H,6-7,10-11,13,15H2,(H,25,29)(H,26,27)
InChIKeyOEOQKCUXLMBOOR-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.19
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide

2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 53181022) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide
PubChem CID53181022
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC1CCN(c2cc(-c3ccncc3)[nH]n2)CC1
InChIInChI=1S/C22H24FN5O/c23-19-3-1-2-17(12-19)13-22(29)25-15-16-6-10-28(11-7-16)21-14-20(26-27-21)18-4-8-24-9-5-18/h1-5,8-9,12,14,16H,6-7,10-11,13,15H2,(H,25,29)(H,26,27)
InChIKeyOEOQKCUXLMBOOR-UHFFFAOYSA-N
XLogP3.19
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide (CID 53181022) is 2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide is O=C(Cc1cccc(F)c1)NCC1CCN(c2cc(-c3ccncc3)[nH]n2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is OEOQKCUXLMBOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c23-19-3-1-2-17(12-19)13-22(29)25-15-16-6-10-28(11-7-16)21-14-20(26-27-21)18-4-8-24-9-5-18/h1-5,8-9,12,14,16H,6-7,10-11,13,15H2,(H,25,29)(H,26,27).
What are the key properties of 2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide?
2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 393.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 53181022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).