2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide

C23H29FN4O2 — CID 162432245

IUPAC2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
SMILESCCN1CCC[C@@H](NC(=O)Cn2nc(C3CCC3)c(-c3cccc(F)c3)cc2=O)C1
InChIInChI=1S/C23H29FN4O2/c1-2-27-11-5-10-19(14-27)25-21(29)15-28-22(30)13-20(17-8-4-9-18(24)12-17)23(26-28)16-6-3-7-16/h4,8-9,12-13,16,19H,2-3,5-7,10-11,14-15H2,1H3,(H,25,29)/t19-/m1/s1
InChIKeyCVZOTXXOSGMZLO-LJQANCHMSA-N
MW412.51 g/mol
LogP2.92
Rot. Bonds6

About 2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide

2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide (PubChem CID 162432245) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
PubChem CID162432245
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC Name2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
SMILESCCN1CCC[C@@H](NC(=O)Cn2nc(C3CCC3)c(-c3cccc(F)c3)cc2=O)C1
InChIInChI=1S/C23H29FN4O2/c1-2-27-11-5-10-19(14-27)25-21(29)15-28-22(30)13-20(17-8-4-9-18(24)12-17)23(26-28)16-6-3-7-16/h4,8-9,12-13,16,19H,2-3,5-7,10-11,14-15H2,1H3,(H,25,29)/t19-/m1/s1
InChIKeyCVZOTXXOSGMZLO-LJQANCHMSA-N
XLogP2.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide?
The IUPAC name of 2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide (CID 162432245) is 2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide is CCN1CCC[C@@H](NC(=O)Cn2nc(C3CCC3)c(-c3cccc(F)c3)cc2=O)C1.
What is the InChIKey of 2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide?
The InChIKey is CVZOTXXOSGMZLO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-2-27-11-5-10-19(14-27)25-21(29)15-28-22(30)13-20(17-8-4-9-18(24)12-17)23(26-28)16-6-3-7-16/h4,8-9,12-13,16,19H,2-3,5-7,10-11,14-15H2,1H3,(H,25,29)/t19-/m1/s1.
What are the key properties of 2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide?
2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide has a molecular weight of 412.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide is sourced from PubChem (CID 162432245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).