2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C22H28N6O2 — CID 24818977

IUPAC2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1)c1ccccc1
InChIInChI=1S/C22H28N6O2/c1-26-15-17(14-24-26)16-27-12-9-19(10-13-27)28-20(8-11-23-28)25-22(29)21(30-2)18-6-4-3-5-7-18/h3-8,11,14-15,19,21H,9-10,12-13,16H2,1-2H3,(H,25,29)
InChIKeyTVGVIFXHFMTKJJ-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.78
Rot. Bonds7

About 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 24818977) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID24818977
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1)c1ccccc1
InChIInChI=1S/C22H28N6O2/c1-26-15-17(14-24-26)16-27-12-9-19(10-13-27)28-20(8-11-23-28)25-22(29)21(30-2)18-6-4-3-5-7-18/h3-8,11,14-15,19,21H,9-10,12-13,16H2,1-2H3,(H,25,29)
InChIKeyTVGVIFXHFMTKJJ-UHFFFAOYSA-N
XLogP2.78
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 24818977) is 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is COC(C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is TVGVIFXHFMTKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-26-15-17(14-24-26)16-27-12-9-19(10-13-27)28-20(8-11-23-28)25-22(29)21(30-2)18-6-4-3-5-7-18/h3-8,11,14-15,19,21H,9-10,12-13,16H2,1-2H3,(H,25,29).
What are the key properties of 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 408.51 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 24818977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).