2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one

C44H51N5O4Si — CID 23929825

IUPAC2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESCOc1ccc([Si](C)(C)[C@H]2[C@H](C)[C@H](CCc3ccc(N4N=C(c5ccccc5)CCC4=O)cc3)O[C@@H]2CCn2cc(C(CO)c3ccccc3)nn2)cc1
InChIInChI=1S/C44H51N5O4Si/c1-31-41(25-17-32-15-18-35(19-16-32)49-43(51)26-24-39(46-49)34-13-9-6-10-14-34)53-42(44(31)54(3,4)37-22-20-36(52-2)21-23-37)27-28-48-29-40(45-47-48)38(30-50)33-11-7-5-8-12-33/h5-16,18-23,29,31,38,41-42,44,50H,17,24-28,30H2,1-4H3/t31-,38?,41+,42-,44+/m1/s1
InChIKeyWWECNNSLPXNSNS-CXILMHKNSA-N
MW742.01 g/mol
LogP7.35
Rot. Bonds14

About 2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one

2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 23929825) has the molecular formula C44H51N5O4Si and a molecular weight of 742.01 g/mol. Its IUPAC name is 2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID23929825
Molecular FormulaC44H51N5O4Si
Molecular Weight742.01 g/mol
Exact Mass741.37
IUPAC Name2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESCOc1ccc([Si](C)(C)[C@H]2[C@H](C)[C@H](CCc3ccc(N4N=C(c5ccccc5)CCC4=O)cc3)O[C@@H]2CCn2cc(C(CO)c3ccccc3)nn2)cc1
InChIInChI=1S/C44H51N5O4Si/c1-31-41(25-17-32-15-18-35(19-16-32)49-43(51)26-24-39(46-49)34-13-9-6-10-14-34)53-42(44(31)54(3,4)37-22-20-36(52-2)21-23-37)27-28-48-29-40(45-47-48)38(30-50)33-11-7-5-8-12-33/h5-16,18-23,29,31,38,41-42,44,50H,17,24-28,30H2,1-4H3/t31-,38?,41+,42-,44+/m1/s1
InChIKeyWWECNNSLPXNSNS-CXILMHKNSA-N
XLogP7.35
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.01
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one (CID 23929825) is 2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one is COc1ccc([Si](C)(C)[C@H]2[C@H](C)[C@H](CCc3ccc(N4N=C(c5ccccc5)CCC4=O)cc3)O[C@@H]2CCn2cc(C(CO)c3ccccc3)nn2)cc1.
What is the InChIKey of 2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is WWECNNSLPXNSNS-CXILMHKNSA-N. The full InChI is InChI=1S/C44H51N5O4Si/c1-31-41(25-17-32-15-18-35(19-16-32)49-43(51)26-24-39(46-49)34-13-9-6-10-14-34)53-42(44(31)54(3,4)37-22-20-36(52-2)21-23-37)27-28-48-29-40(45-47-48)38(30-50)33-11-7-5-8-12-33/h5-16,18-23,29,31,38,41-42,44,50H,17,24-28,30H2,1-4H3/t31-,38?,41+,42-,44+/m1/s1.
What are the key properties of 2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one?
2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 742.01 g/mol, XLogP of 7.35, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2S,3R,4S,5R)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 23929825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).