3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one

C27H20N4O3S — CID 135941182

About 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one

3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one (PubChem CID 135941182) has the molecular formula C27H20N4O3S and a molecular weight of 480.55 g/mol. Its IUPAC name is 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

• Compound Name: 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one
• PubChem CID: 135941182
• Molecular Formula: C27H20N4O3S
• Molecular Weight: 480.55 g/mol
• Exact Mass: 480.13
• IUPAC Name: 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one
• SMILES: COc1ccc(C2CC(c3ccccc3)=NN2c2nc(O)c(C3=c4ccccc4=NC3=O)s2)cc1
• InChI: InChI=1S/C27H20N4O3S/c1-34-18-13-11-17(12-14-18)22-15-21(16-7-3-2-4-8-16)30-31(22)27-29-26(33)24(35-27)23-19-9-5-6-10-20(19)28-25(23)32/h2-14,22,33H,15H2,1H3
• InChIKey: TVIILVWRLDIHEO-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.55
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one?

The IUPAC name of 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one (CID 135941182) is 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one.

What is the SMILES notation for 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one?

The canonical SMILES for 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one is COc1ccc(C2CC(c3ccccc3)=NN2c2nc(O)c(C3=c4ccccc4=NC3=O)s2)cc1.

What is the InChIKey of 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one?

The InChIKey is TVIILVWRLDIHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O3S/c1-34-18-13-11-17(12-14-18)22-15-21(16-7-3-2-4-8-16)30-31(22)27-29-26(33)24(35-27)23-19-9-5-6-10-20(19)28-25(23)32/h2-14,22,33H,15H2,1H3.

What are the key properties of 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one?

3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 480.55 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 135941182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).