2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol

C43H55ClN4O5S — CID 159226741

IUPAC2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol
SMILESCC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(Cl)c3)c(=O)c2OC2C(C)(C)c3ccccc3C2(C)C)CC1.CC1(C)c2ccccc2C(C)(C)C1O
InChIInChI=1S/C30H37ClN4O4S.C13H18O/c1-20(2)40(37,38)34-16-14-33(15-17-34)25-19-32-35(22-11-9-10-21(31)18-22)27(36)26(25)39-28-29(3,4)23-12-7-8-13-24(23)30(28,5)6;1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)14/h7-13,18-20,28H,14-17H2,1-6H3;5-8,11,14H,1-4H3
InChIKeyKSJOIJPIWIKOLO-UHFFFAOYSA-N
MW775.46 g/mol
LogP7.38
Rot. Bonds6

About 2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol

2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol (PubChem CID 159226741) has the molecular formula C43H55ClN4O5S and a molecular weight of 775.46 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol
PubChem CID159226741
Molecular FormulaC43H55ClN4O5S
Molecular Weight775.46 g/mol
Exact Mass774.36
IUPAC Name2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol
SMILESCC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(Cl)c3)c(=O)c2OC2C(C)(C)c3ccccc3C2(C)C)CC1.CC1(C)c2ccccc2C(C)(C)C1O
InChIInChI=1S/C30H37ClN4O4S.C13H18O/c1-20(2)40(37,38)34-16-14-33(15-17-34)25-19-32-35(22-11-9-10-21(31)18-22)27(36)26(25)39-28-29(3,4)23-12-7-8-13-24(23)30(28,5)6;1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)14/h7-13,18-20,28H,14-17H2,1-6H3;5-8,11,14H,1-4H3
InChIKeyKSJOIJPIWIKOLO-UHFFFAOYSA-N
XLogP7.38
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.46
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol with MolForge

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Related Compounds

2-(3-chlorophenyl)-4-(3-methylcyclopentyl)oxy-5-(4-propan-2-ylsulfinylpiperazin-1-yl)pyridazin-3-one
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tert-butyl 4-[1-(3-chlorophenyl)-5-cyclohexyloxy-6-oxopyridazin-4-yl]piperazine-1-carboxylate
CID 66552057
tert-butyl 4-[1-(3-chlorophenyl)-5-(oxan-4-yloxy)-6-oxopyridazin-4-yl]piperazine-1-carboxylate
CID 66552126
2-(3-chlorophenyl)-4-cyclopentyloxy-5-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-one
CID 54585687
5-[4-[(4-amino-3-methylphenyl)methylsulfonyl]piperazin-1-yl]-2-(3-chlorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 25074273
CID 163513563
CID 163513563
5-[4-[(5-amino-2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-(3-chlorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 25069875
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yloxy)-2-(3-fluoro-5-methylphenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one
CID 71066156
2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 118350717
2-(3-chlorophenyl)-5-[4-[(3-iodophenyl)methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;2-(3-chlorophenyl)-4-[(1-methylcyclopropyl)methoxy]-5-[4-[(3-methylsulfonylphenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-one
CID 162229954
N-[4-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]acetamide;N-[4-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-N-methylacetamide
CID 158163759
2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 159444803

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol (CID 159226741) is 2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol is CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(Cl)c3)c(=O)c2OC2C(C)(C)c3ccccc3C2(C)C)CC1.CC1(C)c2ccccc2C(C)(C)C1O.
What is the InChIKey of 2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol?
The InChIKey is KSJOIJPIWIKOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClN4O4S.C13H18O/c1-20(2)40(37,38)34-16-14-33(15-17-34)25-19-32-35(22-11-9-10-21(31)18-22)27(36)26(25)39-28-29(3,4)23-12-7-8-13-24(23)30(28,5)6;1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)14/h7-13,18-20,28H,14-17H2,1-6H3;5-8,11,14H,1-4H3.
What are the key properties of 2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol?
2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol has a molecular weight of 775.46 g/mol, XLogP of 7.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-4-[(1,1,3,3-tetramethyl-2H-inden-2-yl)oxy]pyridazin-3-one;1,1,3,3-tetramethyl-2H-inden-2-ol is sourced from PubChem (CID 159226741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).