6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one

C23H28N4O2 — CID 126862236

IUPAC6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)n1
InChIInChI=1S/C23H28N4O2/c1-23(2,3)20-6-7-21(28)27(25-20)15-16-9-12-26(13-10-16)22(29)18-4-5-19-17(14-18)8-11-24-19/h4-8,11,14,16,24H,9-10,12-13,15H2,1-3H3
InChIKeySTKZRUJRYDGERS-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.57
Rot. Bonds3

About 6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862236) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862236
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)n1
InChIInChI=1S/C23H28N4O2/c1-23(2,3)20-6-7-21(28)27(25-20)15-16-9-12-26(13-10-16)22(29)18-4-5-19-17(14-18)8-11-24-19/h4-8,11,14,16,24H,9-10,12-13,15H2,1-3H3
InChIKeySTKZRUJRYDGERS-UHFFFAOYSA-N
XLogP3.57
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126862268
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
6-tert-butyl-2-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862256
6-tert-butyl-2-[[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862257
6-tert-butyl-2-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862247
6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862284
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
6-tert-butyl-2-[[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862227
6-tert-butyl-2-[[1-(1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927610
1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899305
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238
2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863817

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126862236) is 6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is STKZRUJRYDGERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-23(2,3)20-6-7-21(28)27(25-20)15-16-9-12-26(13-10-16)22(29)18-4-5-19-17(14-18)8-11-24-19/h4-8,11,14,16,24H,9-10,12-13,15H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 392.50 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).