2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide

C18H20N6O2 — CID 128989178

IUPAC2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide
SMILESCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C18H20N6O2/c1-23-15(8-9-19-23)18-13(6-7-16(25)22-18)21-17(26)11-24-14-5-3-2-4-12(14)10-20-24/h2-5,8-10,13,18H,6-7,11H2,1H3,(H,21,26)(H,22,25)/t13-,18-/m1/s1
InChIKeyLOWQOIWLOBOUJL-FZKQIMNGSA-N
MW352.40 g/mol
LogP0.91
Rot. Bonds4

About 2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide

2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide (PubChem CID 128989178) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide
PubChem CID128989178
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide
SMILESCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C18H20N6O2/c1-23-15(8-9-19-23)18-13(6-7-16(25)22-18)21-17(26)11-24-14-5-3-2-4-12(14)10-20-24/h2-5,8-10,13,18H,6-7,11H2,1H3,(H,21,26)(H,22,25)/t13-,18-/m1/s1
InChIKeyLOWQOIWLOBOUJL-FZKQIMNGSA-N
XLogP0.91
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide?
The IUPAC name of 2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide (CID 128989178) is 2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide?
The canonical SMILES for 2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide is Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)Cn1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide?
The InChIKey is LOWQOIWLOBOUJL-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-23-15(8-9-19-23)18-13(6-7-16(25)22-18)21-17(26)11-24-14-5-3-2-4-12(14)10-20-24/h2-5,8-10,13,18H,6-7,11H2,1H3,(H,21,26)(H,22,25)/t13-,18-/m1/s1.
What are the key properties of 2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide?
2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide has a molecular weight of 352.40 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[(2R,3R)-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 128989178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).