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

C32H24N4O3S — CID 155512764

IUPAC3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methylindol-2-one
SMILESCOc1ccc(C2CC(c3ccc4ccccc4c3)=NN2c2nc(O)c(C3=c4cc(C)ccc4=NC3=O)s2)cc1
InChIInChI=1S/C32H24N4O3S/c1-18-7-14-25-24(15-18)28(30(37)33-25)29-31(38)34-32(40-29)36-27(20-10-12-23(39-2)13-11-20)17-26(35-36)22-9-8-19-5-3-4-6-21(19)16-22/h3-16,27,38H,17H2,1-2H3
InChIKeyHZEXQXNXQSVRRR-UHFFFAOYSA-N
MW544.64 g/mol
LogP5.03
Rot. Bonds5

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

3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methylindol-2-one (PubChem CID 155512764) has the molecular formula C32H24N4O3S and a molecular weight of 544.64 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-methylindol-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-methylindol-2-one
PubChem CID155512764
Molecular FormulaC32H24N4O3S
Molecular Weight544.64 g/mol
Exact Mass544.16
IUPAC Name3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methylindol-2-one
SMILESCOc1ccc(C2CC(c3ccc4ccccc4c3)=NN2c2nc(O)c(C3=c4cc(C)ccc4=NC3=O)s2)cc1
InChIInChI=1S/C32H24N4O3S/c1-18-7-14-25-24(15-18)28(30(37)33-25)29-31(38)34-32(40-29)36-27(20-10-12-23(39-2)13-11-20)17-26(35-36)22-9-8-19-5-3-4-6-21(19)16-22/h3-16,27,38H,17H2,1-2H3
InChIKeyHZEXQXNXQSVRRR-UHFFFAOYSA-N
XLogP5.03
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.64
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methylindol-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-methylindol-2-one (CID 155512764) is 3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methylindol-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-methylindol-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-methylindol-2-one is COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2c2nc(O)c(C3=c4cc(C)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-methylindol-2-one?
The InChIKey is HZEXQXNXQSVRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O3S/c1-18-7-14-25-24(15-18)28(30(37)33-25)29-31(38)34-32(40-29)36-27(20-10-12-23(39-2)13-11-20)17-26(35-36)22-9-8-19-5-3-4-6-21(19)16-22/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-methylindol-2-one?
3-[4-hydroxy-2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methylindol-2-one has a molecular weight of 544.64 g/mol, XLogP of 5.03, 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-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-5-methylindol-2-one is sourced from PubChem (CID 155512764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).