(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one

C86H95F3N16O8 — CID 158760942

About (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 158760942) has the molecular formula C86H95F3N16O8 and a molecular weight of 1537.80 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

• Compound Name: (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one
• PubChem CID: 158760942
• Molecular Formula: C86H95F3N16O8
• Molecular Weight: 1537.80 g/mol
• Exact Mass: 1536.75
• IUPAC Name: (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one
• SMILES: C#Cc1ccc2[nH]nc(-c3cc(O[C@H](C)[C@H]4CCC(=O)C4)c4cn(C)nc4c3)c2c1.C[C@@H](Oc1cc(-c2ccn(C(C)(C)C)n2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2ccn(C)n2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2ccn(CCC(F)(F)F)n2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
• InChI: InChI=1S/C24H22N4O2.C22H28N4O2.C21H23F3N4O2.C19H22N4O2/c1-4-15-5-8-21-19(9-15)24(26-25-21)17-11-22-20(13-28(3)27-22)23(12-17)30-14(2)16-6-7-18(29)10-16;1-14(15-6-7-17(27)10-15)28-21-12-16(11-20-18(21)13-25(5)23-20)19-8-9-26(24-19)22(2,3)4;1-13(14-3-4-16(29)9-14)30-20-11-15(10-19-17(20)12-27(2)25-19)18-5-7-28(26-18)8-6-21(22,23)24;1-12(13-4-5-15(24)8-13)25-19-10-14(17-6-7-22(2)20-17)9-18-16(19)11-23(3)21-18/h1,5,8-9,11-14,16H,6-7,10H2,2-3H3,(H,25,26);8-9,11-15H,6-7,10H2,1-5H3;5,7,10-14H,3-4,6,8-9H2,1-2H3;6-7,9-13H,4-5,8H2,1-3H3/t14-,16+;14-,15+;13-,14+;12-,13+/m1111/s1
• InChIKey: IOQUQABLVNVLPO-MCXFJGGASA-N
• XLogP: 16.20
• TPSA: 258.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.80
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one?

The IUPAC name of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one (CID 158760942) is (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one.

What is the SMILES notation for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one?

The canonical SMILES for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one is C#Cc1ccc2[nH]nc(-c3cc(O[C@H](C)[C@H]4CCC(=O)C4)c4cn(C)nc4c3)c2c1.C[C@@H](Oc1cc(-c2ccn(C(C)(C)C)n2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2ccn(C)n2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2ccn(CCC(F)(F)F)n2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.

What is the InChIKey of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one?

The InChIKey is IOQUQABLVNVLPO-MCXFJGGASA-N. The full InChI is InChI=1S/C24H22N4O2.C22H28N4O2.C21H23F3N4O2.C19H22N4O2/c1-4-15-5-8-21-19(9-15)24(26-25-21)17-11-22-20(13-28(3)27-22)23(12-17)30-14(2)16-6-7-18(29)10-16;1-14(15-6-7-17(27)10-15)28-21-12-16(11-20-18(21)13-25(5)23-20)19-8-9-26(24-19)22(2,3)4;1-13(14-3-4-16(29)9-14)30-20-11-15(10-19-17(20)12-27(2)25-19)18-5-7-28(26-18)8-6-21(22,23)24;1-12(13-4-5-15(24)8-13)25-19-10-14(17-6-7-22(2)20-17)9-18-16(19)11-23(3)21-18/h1,5,8-9,11-14,16H,6-7,10H2,2-3H3,(H,25,26);8-9,11-15H,6-7,10H2,1-5H3;5,7,10-14H,3-4,6,8-9H2,1-2H3;6-7,9-13H,4-5,8H2,1-3H3/t14-,16+;14-,15+;13-,14+;12-,13+/m1111/s1.

What are the key properties of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one?

(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1537.80 g/mol, XLogP of 16.20, 18 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(5-ethynyl-1H-indazol-3-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylpyrazol-3-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 158760942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).