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

C21H20N6O2 — CID 146273127

IUPAC5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(-c2noc(C)c2Cn2ncc(-c3cnn(C4CC4)c3)cc2=O)cn1
InChIInChI=1S/C21H20N6O2/c1-13-3-4-15(8-22-13)21-19(14(2)29-25-21)12-27-20(28)7-16(9-24-27)17-10-23-26(11-17)18-5-6-18/h3-4,7-11,18H,5-6,12H2,1-2H3
InChIKeyIYCXBKOWAANZKR-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.16
Rot. Bonds5

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

5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one (PubChem CID 146273127) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
PubChem CID146273127
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(-c2noc(C)c2Cn2ncc(-c3cnn(C4CC4)c3)cc2=O)cn1
InChIInChI=1S/C21H20N6O2/c1-13-3-4-15(8-22-13)21-19(14(2)29-25-21)12-27-20(28)7-16(9-24-27)17-10-23-26(11-17)18-5-6-18/h3-4,7-11,18H,5-6,12H2,1-2H3
InChIKeyIYCXBKOWAANZKR-UHFFFAOYSA-N
XLogP3.16
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 146273099
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
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
tert-butyl 4-[1-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-6-oxopyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156635668
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-[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
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-(4-methoxy-4-methylpiperidin-1-yl)pyridazin-3-one
CID 146273002
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

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one (CID 146273127) is 5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one is Cc1ccc(-c2noc(C)c2Cn2ncc(-c3cnn(C4CC4)c3)cc2=O)cn1.
What is the InChIKey of 5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
The InChIKey is IYCXBKOWAANZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-3-4-15(8-22-13)21-19(14(2)29-25-21)12-27-20(28)7-16(9-24-27)17-10-23-26(11-17)18-5-6-18/h3-4,7-11,18H,5-6,12H2,1-2H3.
What are the key properties of 5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one?
5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 388.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpyrazol-4-yl)-2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 146273127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).