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

C32H24N4O4S — CID 155545598

IUPAC3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one
SMILESCOc1ccc(C2CC(c3ccc4ccccc4c3)=NN2c2nc(O)c(C3=c4cc(OC)ccc4=NC3=O)s2)cc1
InChIInChI=1S/C32H24N4O4S/c1-39-22-11-9-19(10-12-22)27-17-26(21-8-7-18-5-3-4-6-20(18)15-21)35-36(27)32-34-31(38)29(41-32)28-24-16-23(40-2)13-14-25(24)33-30(28)37/h3-16,27,38H,17H2,1-2H3
InChIKeyJZFJTJAQQYXTQB-UHFFFAOYSA-N
MW560.64 g/mol
LogP4.73
Rot. Bonds6

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

3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one (PubChem CID 155545598) has the molecular formula C32H24N4O4S and a molecular weight of 560.64 g/mol. Its IUPAC name is 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-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-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one
PubChem CID155545598
Molecular FormulaC32H24N4O4S
Molecular Weight560.64 g/mol
Exact Mass560.15
IUPAC Name3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one
SMILESCOc1ccc(C2CC(c3ccc4ccccc4c3)=NN2c2nc(O)c(C3=c4cc(OC)ccc4=NC3=O)s2)cc1
InChIInChI=1S/C32H24N4O4S/c1-39-22-11-9-19(10-12-22)27-17-26(21-8-7-18-5-3-4-6-20(18)15-21)35-36(27)32-34-31(38)29(41-32)28-24-16-23(40-2)13-14-25(24)33-30(28)37/h3-16,27,38H,17H2,1-2H3
InChIKeyJZFJTJAQQYXTQB-UHFFFAOYSA-N
XLogP4.73
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.64
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-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-naphthalen-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-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one (CID 155545598) is 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-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-naphthalen-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-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one is COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2c2nc(O)c(C3=c4cc(OC)ccc4=NC3=O)s2)cc1.
What is the InChIKey of 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
The InChIKey is JZFJTJAQQYXTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O4S/c1-39-22-11-9-19(10-12-22)27-17-26(21-8-7-18-5-3-4-6-20(18)15-21)35-36(27)32-34-31(38)29(41-32)28-24-16-23(40-2)13-14-25(24)33-30(28)37/h3-16,27,38H,17H2,1-2H3.
What are the key properties of 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one?
3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one has a molecular weight of 560.64 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methoxyindol-2-one is sourced from PubChem (CID 155545598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).