N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide

C22H18FN5O — CID 18674050

IUPACN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccn1
InChIInChI=1S/C22H18FN5O/c1-28-22(26-19(29)14-18-4-2-3-11-25-18)20(15-9-12-24-13-10-15)21(27-28)16-5-7-17(23)8-6-16/h2-13H,14H2,1H3,(H,26,29)
InChIKeyGBHQQOVGSVWMMK-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.86
Rot. Bonds5

About N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide (PubChem CID 18674050) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide
PubChem CID18674050
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccn1
InChIInChI=1S/C22H18FN5O/c1-28-22(26-19(29)14-18-4-2-3-11-25-18)20(15-9-12-24-13-10-15)21(27-28)16-5-7-17(23)8-6-16/h2-13H,14H2,1H3,(H,26,29)
InChIKeyGBHQQOVGSVWMMK-UHFFFAOYSA-N
XLogP3.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide (CID 18674050) is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccn1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide?
The InChIKey is GBHQQOVGSVWMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c1-28-22(26-19(29)14-18-4-2-3-11-25-18)20(15-9-12-24-13-10-15)21(27-28)16-5-7-17(23)8-6-16/h2-13H,14H2,1H3,(H,26,29).
What are the key properties of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide?
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide has a molecular weight of 387.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 18674050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).