5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one

C25H20N4O3S — CID 40898227

About 5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one

5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 40898227) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
• PubChem CID: 40898227
• Molecular Formula: C25H20N4O3S
• Molecular Weight: 456.53 g/mol
• Exact Mass: 456.13
• IUPAC Name: 5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
• SMILES: COc1ccc(C2=NN(c3nc(-c4ccc5c(c4)CC(=O)N5)cs3)[C@H](c3ccco3)C2)cc1
• InChI: InChI=1S/C25H20N4O3S/c1-31-18-7-4-15(5-8-18)20-13-22(23-3-2-10-32-23)29(28-20)25-27-21(14-33-25)16-6-9-19-17(11-16)12-24(30)26-19/h2-11,14,22H,12-13H2,1H3,(H,26,30)/t22-/m0/s1
• InChIKey: YDHIORYZPPCZSW-QFIPXVFZSA-N
• XLogP: 5.26
• TPSA: 79.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.53
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?

The IUPAC name of 5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (CID 40898227) is 5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?

The canonical SMILES for 5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is COc1ccc(C2=NN(c3nc(-c4ccc5c(c4)CC(=O)N5)cs3)[C@H](c3ccco3)C2)cc1.

What is the InChIKey of 5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?

The InChIKey is YDHIORYZPPCZSW-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H20N4O3S/c1-31-18-7-4-15(5-8-18)20-13-22(23-3-2-10-32-23)29(28-20)25-27-21(14-33-25)16-6-9-19-17(11-16)12-24(30)26-19/h2-11,14,22H,12-13H2,1H3,(H,26,30)/t22-/m0/s1.

What are the key properties of 5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?

5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 456.53 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 40898227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).