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

C22H24N4O2 — CID 126865122

IUPAC6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C22H24N4O2/c27-21-8-7-19(16-5-6-16)24-26(21)14-15-9-11-25(12-10-15)22(28)20-13-17-3-1-2-4-18(17)23-20/h1-4,7-8,13,15-16,23H,5-6,9-12,14H2
InChIKeyXMSZHLUKPJLBCW-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.15
Rot. Bonds4

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

6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865122) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865122
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C22H24N4O2/c27-21-8-7-19(16-5-6-16)24-26(21)14-15-9-11-25(12-10-15)22(28)20-13-17-3-1-2-4-18(17)23-20/h1-4,7-8,13,15-16,23H,5-6,9-12,14H2
InChIKeyXMSZHLUKPJLBCW-UHFFFAOYSA-N
XLogP3.15
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863817
6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865168
2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865130
6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927238
6-tert-butyl-2-[[1-(1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927610
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
6-cyclopropyl-2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865169
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 21036988

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126865122) is 6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is O=C(c1cc2ccccc2[nH]1)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is XMSZHLUKPJLBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21-8-7-19(16-5-6-16)24-26(21)14-15-9-11-25(12-10-15)22(28)20-13-17-3-1-2-4-18(17)23-20/h1-4,7-8,13,15-16,23H,5-6,9-12,14H2.
What are the key properties of 6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 376.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).