2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C18H19N5O2 — CID 126923127

IUPAC2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC2Cn2ncccc2=O)c2ccccc21
InChIInChI=1S/C18H19N5O2/c1-21-15-8-3-2-7-14(15)17(20-21)18(25)22-11-5-6-13(22)12-23-16(24)9-4-10-19-23/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyFXYUMUFLDMZJIH-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.43
Rot. Bonds3

About 2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923127) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923127
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC2Cn2ncccc2=O)c2ccccc21
InChIInChI=1S/C18H19N5O2/c1-21-15-8-3-2-7-14(15)17(20-21)18(25)22-11-5-6-13(22)12-23-16(24)9-4-10-19-23/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyFXYUMUFLDMZJIH-UHFFFAOYSA-N
XLogP1.43
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(chloromethyl)piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103122365
2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923085
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923128
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116391
2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923129
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 95350753
(1-methylindazol-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 87052010
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120794
2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923176
6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926405
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923127) is 2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is Cn1nc(C(=O)N2CCCC2Cn2ncccc2=O)c2ccccc21.
What is the InChIKey of 2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is FXYUMUFLDMZJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-21-15-8-3-2-7-14(15)17(20-21)18(25)22-11-5-6-13(22)12-23-16(24)9-4-10-19-23/h2-4,7-10,13H,5-6,11-12H2,1H3.
What are the key properties of 2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 337.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).