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

C26H20N4O4S2 — CID 155554659

IUPAC3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one
SMILESCOc1ccc(C2CC(c3cccs3)=NN2c2nc(O)c(C3=c4cc(OC)ccc4=NC3=O)s2)cc1
InChIInChI=1S/C26H20N4O4S2/c1-33-15-7-5-14(6-8-15)20-13-19(21-4-3-11-35-21)29-30(20)26-28-25(32)23(36-26)22-17-12-16(34-2)9-10-18(17)27-24(22)31/h3-12,20,32H,13H2,1-2H3
InChIKeyRJQFGELVXPWJCM-UHFFFAOYSA-N
MW516.60 g/mol
LogP3.64
Rot. Bonds6

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

3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one (PubChem CID 155554659) has the molecular formula C26H20N4O4S2 and a molecular weight of 516.60 g/mol. Its IUPAC name is 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one
PubChem CID155554659
Molecular FormulaC26H20N4O4S2
Molecular Weight516.60 g/mol
Exact Mass516.09
IUPAC Name3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one
SMILESCOc1ccc(C2CC(c3cccs3)=NN2c2nc(O)c(C3=c4cc(OC)ccc4=NC3=O)s2)cc1
InChIInChI=1S/C26H20N4O4S2/c1-33-15-7-5-14(6-8-15)20-13-19(21-4-3-11-35-21)29-30(20)26-28-25(32)23(36-26)22-17-12-16(34-2)9-10-18(17)27-24(22)31/h3-12,20,32H,13H2,1-2H3
InChIKeyRJQFGELVXPWJCM-UHFFFAOYSA-N
XLogP3.64
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
The IUPAC name of 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one (CID 155554659) is 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one.
What is the SMILES notation for 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
The canonical SMILES for 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one is COc1ccc(C2CC(c3cccs3)=NN2c2nc(O)c(C3=c4cc(OC)ccc4=NC3=O)s2)cc1.
What is the InChIKey of 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
The InChIKey is RJQFGELVXPWJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4S2/c1-33-15-7-5-14(6-8-15)20-13-19(21-4-3-11-35-21)29-30(20)26-28-25(32)23(36-26)22-17-12-16(34-2)9-10-18(17)27-24(22)31/h3-12,20,32H,13H2,1-2H3.
What are the key properties of 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one has a molecular weight of 516.60 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one is sourced from PubChem (CID 155554659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).