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

C81H93N25O6S6 — CID 158354200

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

6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one);6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]sulfanyl-1,2-dihydroindazol-3-one (PubChem CID 158354200) has the molecular formula C81H93N25O6S6 and a molecular weight of 1705.21 g/mol. Its IUPAC name is 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one);6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]sulfanyl-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one);6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]sulfanyl-1,2-dihydroindazol-3-one
• PubChem CID: 158354200
• Molecular Formula: C81H93N25O6S6
• Molecular Weight: 1705.21 g/mol
• Exact Mass: 1703.61
• IUPAC Name: 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one);6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]sulfanyl-1,2-dihydroindazol-3-one
• SMILES: Cc1cnc(NC2CCC(Sc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCC(Sc3ccc4c(=O)[nH][nH]c4c3)C2)c1.Cn1cnc(NC2CCC(Sc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(SC3CCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(SC3COCC(Nc4nccnn4)C3)ccc12
• InChI: InChI=1S/C18H21N5OS.2C16H19N5OS.C16H18N4OS2.C15H16N6O2S/c24-18-14-6-5-13(8-16(14)21-23-18)25-12-4-3-11(7-12)19-17-9-15(20-22-17)10-1-2-10;2*1-21-8-15(17-9-21)18-10-2-3-11(6-10)23-12-4-5-13-14(7-12)19-20-16(13)22;1-9-8-17-16(22-9)18-10-2-3-11(6-10)23-12-4-5-13-14(7-12)19-20-15(13)21;22-14-12-2-1-10(6-13(12)19-20-14)24-11-5-9(7-23-8-11)18-15-16-3-4-17-21-15/h5-6,8-12H,1-4,7H2,(H2,19,20,22)(H2,21,23,24);2*4-5,7-11,18H,2-3,6H2,1H3,(H2,19,20,22);4-5,7-8,10-11H,2-3,6H2,1H3,(H,17,18)(H2,19,20,21);1-4,6,9,11H,5,7-8H2,(H,16,18,21)(H2,19,20,22)
• InChIKey: GSRHVAMZNCSQNG-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 428.51 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1705.21
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one);6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]sulfanyl-1,2-dihydroindazol-3-one (CID 158354200) is 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one);6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]sulfanyl-1,2-dihydroindazol-3-one.

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

The canonical SMILES for 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one);6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]sulfanyl-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCC(Sc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCC(Sc3ccc4c(=O)[nH][nH]c4c3)C2)c1.Cn1cnc(NC2CCC(Sc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(SC3CCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(SC3COCC(Nc4nccnn4)C3)ccc12.

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

The InChIKey is GSRHVAMZNCSQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS.2C16H19N5OS.C16H18N4OS2.C15H16N6O2S/c24-18-14-6-5-13(8-16(14)21-23-18)25-12-4-3-11(7-12)19-17-9-15(20-22-17)10-1-2-10;2*1-21-8-15(17-9-21)18-10-2-3-11(6-10)23-12-4-5-13-14(7-12)19-20-16(13)22;1-9-8-17-16(22-9)18-10-2-3-11(6-10)23-12-4-5-13-14(7-12)19-20-15(13)21;22-14-12-2-1-10(6-13(12)19-20-14)24-11-5-9(7-23-8-11)18-15-16-3-4-17-21-15/h5-6,8-12H,1-4,7H2,(H2,19,20,22)(H2,21,23,24);2*4-5,7-11,18H,2-3,6H2,1H3,(H2,19,20,22);4-5,7-8,10-11H,2-3,6H2,1H3,(H,17,18)(H2,19,20,21);1-4,6,9,11H,5,7-8H2,(H,16,18,21)(H2,19,20,22).

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

6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one);6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]sulfanyl-1,2-dihydroindazol-3-one has a molecular weight of 1705.21 g/mol, XLogP of 14.16, 21 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;bis(6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one);6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]sulfanyl-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]sulfanyl-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158354200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).