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

C98H107N29O6S2 — CID 158410562

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

6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)ethoxyamino]-1,2-dihydroindazol-3-one (PubChem CID 158410562) has the molecular formula C98H107N29O6S2 and a molecular weight of 1851.26 g/mol. Its IUPAC name is 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)ethoxyamino]-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)ethoxyamino]-1,2-dihydroindazol-3-one
• PubChem CID: 158410562
• Molecular Formula: C98H107N29O6S2
• Molecular Weight: 1851.26 g/mol
• Exact Mass: 1849.84
• IUPAC Name: 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)ethoxyamino]-1,2-dihydroindazol-3-one
• SMILES: Cc1cnc(NC(CCNc2ccc3c(=O)[nH][nH]c3c2)c2ccccc2)s1.Cc1cnc(NCCC(Cc2ccccc2)Nc2ccc3c(=O)[nH][nH]c3c2)s1.O=c1[nH][nH]c2cc(NC(CCNc3cc(C4CC4)[nH]n3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(NCCC(Nc3cc(C4CC4)[nH]n3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(NOCCNc3nccnn3)ccc12
• InChI: InChI=1S/C23H26N6O.C22H24N6O.C21H23N5OS.C20H21N5OS.C12H13N7O2/c30-23-19-9-8-17(13-21(19)27-29-23)25-18(12-15-4-2-1-3-5-15)10-11-24-22-14-20(26-28-22)16-6-7-16;29-22-17-9-8-16(12-20(17)26-28-22)23-11-10-18(14-4-2-1-3-5-14)24-21-13-19(25-27-21)15-6-7-15;1-14-13-23-21(28-14)22-10-9-17(11-15-5-3-2-4-6-15)24-16-7-8-18-19(12-16)25-26-20(18)27;1-13-12-22-20(27-13)23-17(14-5-3-2-4-6-14)9-10-21-15-7-8-16-18(11-15)24-25-19(16)26;20-11-9-2-1-8(7-10(9)16-17-11)19-21-6-5-14-12-13-3-4-15-18-12/h1-5,8-9,13-14,16,18,25H,6-7,10-12H2,(H2,24,26,28)(H2,27,29,30);1-5,8-9,12-13,15,18,23H,6-7,10-11H2,(H2,24,25,27)(H2,26,28,29);2-8,12-13,17,24H,9-11H2,1H3,(H,22,23)(H2,25,26,27);2-8,11-12,17,21H,9-10H2,1H3,(H,22,23)(H2,24,25,26);1-4,7,19H,5-6H2,(H,13,14,18)(H2,16,17,20)
• InChIKey: GZGIICURYYBDRO-UHFFFAOYSA-N
• XLogP: 17.01
• TPSA: 494.59 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1851.26
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	25

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

The IUPAC name of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)ethoxyamino]-1,2-dihydroindazol-3-one (CID 158410562) is 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)ethoxyamino]-1,2-dihydroindazol-3-one.

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

The canonical SMILES for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)ethoxyamino]-1,2-dihydroindazol-3-one is Cc1cnc(NC(CCNc2ccc3c(=O)[nH][nH]c3c2)c2ccccc2)s1.Cc1cnc(NCCC(Cc2ccccc2)Nc2ccc3c(=O)[nH][nH]c3c2)s1.O=c1[nH][nH]c2cc(NC(CCNc3cc(C4CC4)[nH]n3)Cc3ccccc3)ccc12.O=c1[nH][nH]c2cc(NCCC(Nc3cc(C4CC4)[nH]n3)c3ccccc3)ccc12.O=c1[nH][nH]c2cc(NOCCNc3nccnn3)ccc12.

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

The InChIKey is GZGIICURYYBDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O.C22H24N6O.C21H23N5OS.C20H21N5OS.C12H13N7O2/c30-23-19-9-8-17(13-21(19)27-29-23)25-18(12-15-4-2-1-3-5-15)10-11-24-22-14-20(26-28-22)16-6-7-16;29-22-17-9-8-16(12-20(17)26-28-22)23-11-10-18(14-4-2-1-3-5-14)24-21-13-19(25-27-21)15-6-7-15;1-14-13-23-21(28-14)22-10-9-17(11-15-5-3-2-4-6-15)24-16-7-8-18-19(12-16)25-26-20(18)27;1-13-12-22-20(27-13)23-17(14-5-3-2-4-6-14)9-10-21-15-7-8-16-18(11-15)24-25-19(16)26;20-11-9-2-1-8(7-10(9)16-17-11)19-21-6-5-14-12-13-3-4-15-18-12/h1-5,8-9,13-14,16,18,25H,6-7,10-12H2,(H2,24,26,28)(H2,27,29,30);1-5,8-9,12-13,15,18,23H,6-7,10-11H2,(H2,24,25,27)(H2,26,28,29);2-8,12-13,17,24H,9-11H2,1H3,(H,22,23)(H2,25,26,27);2-8,11-12,17,21H,9-10H2,1H3,(H,22,23)(H2,24,25,26);1-4,7,19H,5-6H2,(H,13,14,18)(H2,16,17,20).

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

6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)ethoxyamino]-1,2-dihydroindazol-3-one has a molecular weight of 1851.26 g/mol, XLogP of 17.01, 38 rotatable bonds, 22 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-1-phenylbutan-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenylpropyl]amino]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)ethoxyamino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158410562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).