6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclopentyl]amino]-1,2-dihydroindazol-3-one

C86H101N25O5S5 — CID 159431324

About 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclopentyl]amino]-1,2-dihydroindazol-3-one

6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclopentyl]amino]-1,2-dihydroindazol-3-one (PubChem CID 159431324) has the molecular formula C86H101N25O5S5 and a molecular weight of 1725.26 g/mol. Its IUPAC name is 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclopentyl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclopentyl]amino]-1,2-dihydroindazol-3-one
• PubChem CID: 159431324
• Molecular Formula: C86H101N25O5S5
• Molecular Weight: 1725.26 g/mol
• Exact Mass: 1723.70
• IUPAC Name: 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclopentyl]amino]-1,2-dihydroindazol-3-one
• SMILES: Cc1cnc(NC2CCCC(Sc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCCC(Sc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(NC3CCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2cc(SC3CCCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(SC3CCCC(Nc4ccccn4)C3)ccc12
• InChI: InChI=1S/C19H23N5OS.C18H20N4OS.C17H21N5OS.C17H20N4OS2.C15H17N7O/c25-19-15-7-6-14(9-17(15)22-24-19)26-13-3-1-2-12(8-13)20-18-10-16(21-23-18)11-4-5-11;23-18-15-8-7-14(11-16(15)21-22-18)24-13-5-3-4-12(10-13)20-17-6-1-2-9-19-17;1-22-9-16(18-10-22)19-11-3-2-4-12(7-11)24-13-5-6-14-15(8-13)20-21-17(14)23;1-10-9-18-17(23-10)19-11-3-2-4-12(7-11)24-13-5-6-14-15(8-13)20-21-16(14)22;23-14-12-4-3-11(8-13(12)20-21-14)18-9-1-2-10(7-9)19-15-16-5-6-17-22-15/h6-7,9-13H,1-5,8H2,(H2,20,21,23)(H2,22,24,25);1-2,6-9,11-13H,3-5,10H2,(H,19,20)(H2,21,22,23);5-6,8-12,19H,2-4,7H2,1H3,(H2,20,21,23);5-6,8-9,11-12H,2-4,7H2,1H3,(H,18,19)(H2,20,21,22);3-6,8-10,18H,1-2,7H2,(H,16,19,22)(H2,20,21,23)
• InChIKey: LRADWLSGUIZPPL-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 426.38 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1725.26
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclopentyl]amino]-1,2-dihydroindazol-3-one (CID 159431324) is 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclopentyl]amino]-1,2-dihydroindazol-3-one.

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

The canonical SMILES for 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclopentyl]amino]-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCCC(Sc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCCC(Sc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(NC3CCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2cc(SC3CCCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(SC3CCCC(Nc4ccccn4)C3)ccc12.

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

The InChIKey is LRADWLSGUIZPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS.C18H20N4OS.C17H21N5OS.C17H20N4OS2.C15H17N7O/c25-19-15-7-6-14(9-17(15)22-24-19)26-13-3-1-2-12(8-13)20-18-10-16(21-23-18)11-4-5-11;23-18-15-8-7-14(11-16(15)21-22-18)24-13-5-3-4-12(10-13)20-17-6-1-2-9-19-17;1-22-9-16(18-10-22)19-11-3-2-4-12(7-11)24-13-5-6-14-15(8-13)20-21-17(14)23;1-10-9-18-17(23-10)19-11-3-2-4-12(7-11)24-13-5-6-14-15(8-13)20-21-16(14)22;23-14-12-4-3-11(8-13(12)20-21-14)18-9-1-2-10(7-9)19-15-16-5-6-17-22-15/h6-7,9-13H,1-5,8H2,(H2,20,21,23)(H2,22,24,25);1-2,6-9,11-13H,3-5,10H2,(H,19,20)(H2,21,22,23);5-6,8-12,19H,2-4,7H2,1H3,(H2,20,21,23);5-6,8-9,11-12H,2-4,7H2,1H3,(H,18,19)(H2,20,21,22);3-6,8-10,18H,1-2,7H2,(H,16,19,22)(H2,20,21,23).

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

6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclopentyl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 1725.26 g/mol, XLogP of 16.47, 21 rotatable bonds, 17 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclohexyl]sulfanyl-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclopentyl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159431324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).