6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one

C75H80N24O9S7 — CID 159981070

About 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one

6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one (PubChem CID 159981070) has the molecular formula C75H80N24O9S7 and a molecular weight of 1686.09 g/mol. Its IUPAC name is 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one
• PubChem CID: 159981070
• Molecular Formula: C75H80N24O9S7
• Molecular Weight: 1686.09 g/mol
• Exact Mass: 1684.46
• IUPAC Name: 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one
• SMILES: Cc1cnc(NOCCSc2ccc3c(=O)[nH][nH]c3c2)s1.Cc1cnc(NOCCSc2ccc3c(=O)[nH][nH]c3c2)s1.O=c1[nH][nH]c2cc(SCCC(Nc3cc(C4CC4)[nH]n3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(SCCONc3cc(C4CC4)[nH]n3)ccc12.O=c1[nH][nH]c2cc(SCCONc3nccnn3)ccc12
• InChI: InChI=1S/C22H23N5OS.C15H17N5O2S.2C13H14N4O2S2.C12H12N6O2S/c28-22-17-9-8-16(12-20(17)25-27-22)29-11-10-18(14-4-2-1-3-5-14)23-21-13-19(24-26-21)15-6-7-15;21-15-11-4-3-10(7-13(11)17-19-15)23-6-5-22-20-14-8-12(16-18-14)9-1-2-9;2*1-8-7-14-13(21-8)17-19-4-5-20-9-2-3-10-11(6-9)15-16-12(10)18;19-11-9-2-1-8(7-10(9)15-16-11)21-6-5-20-18-12-13-3-4-14-17-12/h1-5,8-9,12-13,15,18H,6-7,10-11H2,(H2,23,24,26)(H2,25,27,28);3-4,7-9H,1-2,5-6H2,(H2,16,18,20)(H2,17,19,21);2*2-3,6-7H,4-5H2,1H3,(H,14,17)(H2,15,16,18);1-4,7H,5-6H2,(H,13,17,18)(H2,15,16,19)
• InChIKey: OFTWKZHKUPGFHX-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 462.13 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 33
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1686.09
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one?

The IUPAC name of 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one (CID 159981070) is 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one.

What is the SMILES notation for 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one?

The canonical SMILES for 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one is Cc1cnc(NOCCSc2ccc3c(=O)[nH][nH]c3c2)s1.Cc1cnc(NOCCSc2ccc3c(=O)[nH][nH]c3c2)s1.O=c1[nH][nH]c2cc(SCCC(Nc3cc(C4CC4)[nH]n3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(SCCONc3cc(C4CC4)[nH]n3)ccc12.O=c1[nH][nH]c2cc(SCCONc3nccnn3)ccc12.

What is the InChIKey of 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one?

The InChIKey is OFTWKZHKUPGFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS.C15H17N5O2S.2C13H14N4O2S2.C12H12N6O2S/c28-22-17-9-8-16(12-20(17)25-27-22)29-11-10-18(14-4-2-1-3-5-14)23-21-13-19(24-26-21)15-6-7-15;21-15-11-4-3-10(7-13(11)17-19-15)23-6-5-22-20-14-8-12(16-18-14)9-1-2-9;2*1-8-7-14-13(21-8)17-19-4-5-20-9-2-3-10-11(6-9)15-16-12(10)18;19-11-9-2-1-8(7-10(9)15-16-11)21-6-5-20-18-12-13-3-4-14-17-12/h1-5,8-9,12-13,15,18H,6-7,10-11H2,(H2,23,24,26)(H2,25,27,28);3-4,7-9H,1-2,5-6H2,(H2,16,18,20)(H2,17,19,21);2*2-3,6-7H,4-5H2,1H3,(H,14,17)(H2,15,16,18);1-4,7H,5-6H2,(H,13,17,18)(H2,15,16,19).

What are the key properties of 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one?

6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one has a molecular weight of 1686.09 g/mol, XLogP of 14.08, 33 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylsulfanyl]-1,2-dihydroindazol-3-one);6-[2-(1,2,4-triazin-3-ylamino)oxyethylsulfanyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159981070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).