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1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C26H26N6O3S — CID 122654107

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCOc1ccccc1-c1cc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)cc2cn[nH]c12
InChIInChI=1S/C26H26N6O3S/c1-35-22-5-3-2-4-20(22)21-13-18(12-17-15-28-29-24(17)21)32-16-19(14-23(32)33)30-7-9-31(10-8-30)26(34)25-27-6-11-36-25/h2-6,11-13,15,19H,7-10,14,16H2,1H3,(H,28,29)
InChIKeyHNVGVIZKAOTIFG-UHFFFAOYSA-N
MW502.60 g/mol
LogP3.26
Rot. Bonds5

About 1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122654107) has the molecular formula C26H26N6O3S and a molecular weight of 502.60 g/mol. Its IUPAC name is 1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID122654107
Molecular FormulaC26H26N6O3S
Molecular Weight502.60 g/mol
Exact Mass502.18
IUPAC Name1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCOc1ccccc1-c1cc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)cc2cn[nH]c12
InChIInChI=1S/C26H26N6O3S/c1-35-22-5-3-2-4-20(22)21-13-18(12-17-15-28-29-24(17)21)32-16-19(14-23(32)33)30-7-9-31(10-8-30)26(34)25-27-6-11-36-25/h2-6,11-13,15,19H,7-10,14,16H2,1H3,(H,28,29)
InChIKeyHNVGVIZKAOTIFG-UHFFFAOYSA-N
XLogP3.26
TPSA94.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.60
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122654107) is 1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is COc1ccccc1-c1cc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)cc2cn[nH]c12.
What is the InChIKey of 1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is HNVGVIZKAOTIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S/c1-35-22-5-3-2-4-20(22)21-13-18(12-17-15-28-29-24(17)21)32-16-19(14-23(32)33)30-7-9-31(10-8-30)26(34)25-27-6-11-36-25/h2-6,11-13,15,19H,7-10,14,16H2,1H3,(H,28,29).
What are the key properties of 1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 502.60 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122654107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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