2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one

C18H15ClN6O2 — CID 146273099

IUPAC2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one
SMILESCc1onc(-c2ccc(Cl)nc2)c1Cn1ncc(-c2cnn(C)c2)cc1=O
InChIInChI=1S/C18H15ClN6O2/c1-11-15(18(23-27-11)12-3-4-16(19)20-6-12)10-25-17(26)5-13(7-22-25)14-8-21-24(2)9-14/h3-9H,10H2,1-2H3
InChIKeyRQXIDBRKHVHKSG-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.70
Rot. Bonds4

About 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one

2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one (PubChem CID 146273099) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one
PubChem CID146273099
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC Name2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one
SMILESCc1onc(-c2ccc(Cl)nc2)c1Cn1ncc(-c2cnn(C)c2)cc1=O
InChIInChI=1S/C18H15ClN6O2/c1-11-15(18(23-27-11)12-3-4-16(19)20-6-12)10-25-17(26)5-13(7-22-25)14-8-21-24(2)9-14/h3-9H,10H2,1-2H3
InChIKeyRQXIDBRKHVHKSG-UHFFFAOYSA-N
XLogP2.70
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)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

5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
CID 146273127
2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one
CID 146272718
2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-[(8R)-8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyridazin-3-one
CID 146275225
2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one
CID 146272909
5-(6-methoxy-2-pyridinyl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
CID 146272736
2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one
CID 146273155
tert-butyl 2,6-dimethyl-4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]piperazine-1-carboxylate
CID 146273144
5-(8-fluoro-5-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
CID 146272765
5-[3-(2,2-difluoroethoxy)azetidin-1-yl]-2-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methyl]pyridazin-3-one
CID 146272775
5-[7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
CID 146272626
4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 146272646
3-methyl-5-(1-methylpyrazol-4-yl)-2,1-benzoxazole
CID 23537432

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one?
The IUPAC name of 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one (CID 146273099) is 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one?
The canonical SMILES for 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one is Cc1onc(-c2ccc(Cl)nc2)c1Cn1ncc(-c2cnn(C)c2)cc1=O.
What is the InChIKey of 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one?
The InChIKey is RQXIDBRKHVHKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-11-15(18(23-27-11)12-3-4-16(19)20-6-12)10-25-17(26)5-13(7-22-25)14-8-21-24(2)9-14/h3-9H,10H2,1-2H3.
What are the key properties of 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one?
2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one has a molecular weight of 382.81 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one is sourced from PubChem (CID 146273099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).