4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

C24H28ClN5O3 — CID 53004690

IUPAC4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1onc2c(=O)n(CC(=O)N3CCN(C4CCCCC4)CC3)nc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C24H28ClN5O3/c1-16-21-22(17-7-9-18(25)10-8-17)26-30(24(32)23(21)27-33-16)15-20(31)29-13-11-28(12-14-29)19-5-3-2-4-6-19/h7-10,19H,2-6,11-15H2,1H3
InChIKeySGCRULZJBQUFBB-UHFFFAOYSA-N
MW469.97 g/mol
LogP3.49
Rot. Bonds4

About 4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 53004690) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID53004690
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC Name4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1onc2c(=O)n(CC(=O)N3CCN(C4CCCCC4)CC3)nc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C24H28ClN5O3/c1-16-21-22(17-7-9-18(25)10-8-17)26-30(24(32)23(21)27-33-16)15-20(31)29-13-11-28(12-14-29)19-5-3-2-4-6-19/h7-10,19H,2-6,11-15H2,1H3
InChIKeySGCRULZJBQUFBB-UHFFFAOYSA-N
XLogP3.49
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one with MolForge

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Related Compounds

2-[4-(4-chlorophenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]acetic acid
CID 10245414
3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 53056290
ethyl 4-[4-(4-chlorophenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]butanoate
CID 10595654
6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 14873184
4-(3-chlorophenyl)-6-ethyl-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 10851017
3-(4-chlorophenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 129219680
2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 53056462
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one
CID 2946263
[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 20858249
2-(4-chlorophenoxy)-1-(4-cycloheptylpiperazin-1-yl)ethanone;oxalic acid
CID 2881105
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 126768949
6-[(2-chloro-6-fluorophenyl)methyl]-4-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 46291345

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 53004690) is 4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1onc2c(=O)n(CC(=O)N3CCN(C4CCCCC4)CC3)nc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is SGCRULZJBQUFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-16-21-22(17-7-9-18(25)10-8-17)26-30(24(32)23(21)27-33-16)15-20(31)29-13-11-28(12-14-29)19-5-3-2-4-6-19/h7-10,19H,2-6,11-15H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 469.97 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 53004690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).