4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one

C18H21ClN4O2 — CID 167971591

IUPAC4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NCC2CCCC3(CNC3)O2)cnn1-c1ccccc1
InChIInChI=1S/C18H21ClN4O2/c19-16-15(10-22-23(17(16)24)13-5-2-1-3-6-13)21-9-14-7-4-8-18(25-14)11-20-12-18/h1-3,5-6,10,14,20-21H,4,7-9,11-12H2
InChIKeyAZRNXVIGVSEZRQ-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.21
Rot. Bonds4

About 4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one

4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one (PubChem CID 167971591) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one
PubChem CID167971591
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(NCC2CCCC3(CNC3)O2)cnn1-c1ccccc1
InChIInChI=1S/C18H21ClN4O2/c19-16-15(10-22-23(17(16)24)13-5-2-1-3-6-13)21-9-14-7-4-8-18(25-14)11-20-12-18/h1-3,5-6,10,14,20-21H,4,7-9,11-12H2
InChIKeyAZRNXVIGVSEZRQ-UHFFFAOYSA-N
XLogP2.21
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-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

4-chloro-5-(oxan-3-ylmethylamino)-2-phenylpyridazin-3-one;2-cyclopropyloxolane
CID 168964040
4-chloro-2-(4-chlorophenyl)-5-[[(3S)-oxolan-3-yl]methylamino]pyridazin-3-one
CID 94415319
[1-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]cyclohexyl]-dimethylazanium
CID 9194978
4-chloro-5-(1,4-dithian-2-ylmethylamino)-2-phenylpyridazin-3-one
CID 133348833
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196
4-[[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430645
4-chloro-5-[[(3S)-oxan-3-yl]methylamino]-2-(4-pyridin-4-yloxyphenyl)pyridazin-3-one
CID 168964631
4-chloro-5-[[(3R)-oxan-3-yl]methylamino]-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 168963829
4-chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-phenylpyridazin-3-one
CID 133332334
4-chloro-5-[[(3S)-oxan-3-yl]methylamino]-2-(4-piperidin-4-yloxyphenyl)pyridazin-3-one;hydrochloride
CID 168963123
4-chloro-5-[[(3S)-oxan-3-yl]methylamino]-2-(4-piperidin-4-yloxyphenyl)pyridazin-3-one;dihydrochloride
CID 175905576
4-chloro-2-(4-methylsulfonylphenyl)-5-(oxan-3-ylmethylamino)pyridazin-3-one
CID 168964369

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one (CID 167971591) is 4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one is O=c1c(Cl)c(NCC2CCCC3(CNC3)O2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one?
The InChIKey is AZRNXVIGVSEZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c19-16-15(10-22-23(17(16)24)13-5-2-1-3-6-13)21-9-14-7-4-8-18(25-14)11-20-12-18/h1-3,5-6,10,14,20-21H,4,7-9,11-12H2.
What are the key properties of 4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one?
4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one has a molecular weight of 360.85 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5-oxa-2-azaspiro[3.5]nonan-6-ylmethylamino)-2-phenylpyridazin-3-one is sourced from PubChem (CID 167971591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).