6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one

C20H23N5O3 — CID 126939964

IUPAC6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(C3COCC3NCc3cn[nH]c3C)n2)c1
InChIInChI=1S/C20H23N5O3/c1-13-15(10-22-23-13)9-21-18-11-28-12-19(18)25-20(26)7-6-17(24-25)14-4-3-5-16(8-14)27-2/h3-8,10,18-19,21H,9,11-12H2,1-2H3,(H,22,23)
InChIKeyOCUYDKKOKPLUHQ-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.68
Rot. Bonds6

About 6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one

6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one (PubChem CID 126939964) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one
PubChem CID126939964
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(C3COCC3NCc3cn[nH]c3C)n2)c1
InChIInChI=1S/C20H23N5O3/c1-13-15(10-22-23-13)9-21-18-11-28-12-19(18)25-20(26)7-6-17(24-25)14-4-3-5-16(8-14)27-2/h3-8,10,18-19,21H,9,11-12H2,1-2H3,(H,22,23)
InChIKeyOCUYDKKOKPLUHQ-UHFFFAOYSA-N
XLogP1.68
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one with MolForge

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Related Compounds

2-[4-[(1-hydroxycyclohexyl)methylamino]oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 126940022
6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939969
6-(3-methoxyphenyl)-2-[4-(1,2,5-thiadiazol-3-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939924
6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939935
6-(3-methoxyphenyl)-2-[4-[(1-methyl-6-oxopyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126940009
6-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939911
N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyrazine-2-carboxamide
CID 126939844
2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940339
2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 126939925
6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide
CID 126939877
2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940299
2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939365

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one (CID 126939964) is 6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one is COc1cccc(-c2ccc(=O)n(C3COCC3NCc3cn[nH]c3C)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one?
The InChIKey is OCUYDKKOKPLUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-15(10-22-23-13)9-21-18-11-28-12-19(18)25-20(26)7-6-17(24-25)14-4-3-5-16(8-14)27-2/h3-8,10,18-19,21H,9,11-12H2,1-2H3,(H,22,23).
What are the key properties of 6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one?
6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one has a molecular weight of 381.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).