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

C21H22N4O3 — CID 126927238

IUPAC6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCOc1ccc2cc(C(=O)N3CC(Cn4nc(C5CC5)ccc4=O)C3)[nH]c2c1
InChIInChI=1S/C21H22N4O3/c1-28-16-5-4-15-8-19(22-18(15)9-16)21(27)24-10-13(11-24)12-25-20(26)7-6-17(23-25)14-2-3-14/h4-9,13-14,22H,2-3,10-12H2,1H3
InChIKeyNNITWPUYYXBTBH-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.38
Rot. Bonds5

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

6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927238) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927238
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCOc1ccc2cc(C(=O)N3CC(Cn4nc(C5CC5)ccc4=O)C3)[nH]c2c1
InChIInChI=1S/C21H22N4O3/c1-28-16-5-4-15-8-19(22-18(15)9-16)21(27)24-10-13(11-24)12-25-20(26)7-6-17(23-25)14-2-3-14/h4-9,13-14,22H,2-3,10-12H2,1H3
InChIKeyNNITWPUYYXBTBH-UHFFFAOYSA-N
XLogP2.38
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865122
6-tert-butyl-2-[[1-(1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927610
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
2-[(3R)-1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786376
4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155632
[3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 156611412
N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 93076979
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122248470
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122257934
(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 16668671
2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126927229
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-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126927238) is 6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one is COc1ccc2cc(C(=O)N3CC(Cn4nc(C5CC5)ccc4=O)C3)[nH]c2c1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is NNITWPUYYXBTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-16-5-4-15-8-19(22-18(15)9-16)21(27)24-10-13(11-24)12-25-20(26)7-6-17(23-25)14-2-3-14/h4-9,13-14,22H,2-3,10-12H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 378.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).