(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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

C87H98F2N16O8 — CID 159729461

About (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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 (PubChem CID 159729461) has the molecular formula C87H98F2N16O8 and a molecular weight of 1533.84 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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.

Molecular Properties

• Compound Name: (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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
• PubChem CID: 159729461
• Molecular Formula: C87H98F2N16O8
• Molecular Weight: 1533.84 g/mol
• Exact Mass: 1532.77
• IUPAC Name: (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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
• 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)n2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C(C)(C)C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(CCC(C)(F)F)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
• InChI: InChI=1S/C24H22N4O2.C22H26F2N4O2.C22H28N4O2.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(15-4-5-18(29)8-15)30-21-10-16(9-20-19(21)13-27(3)26-20)17-11-25-28(12-17)7-6-22(2,23)24;1-14(15-6-7-18(27)8-15)28-21-10-16(9-20-19(21)13-25(5)24-20)17-11-23-26(12-17)22(2,3)4;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);9-15H,4-8H2,1-3H3;9-15H,6-8H2,1-5H3;6-7,9-13H,4-5,8H2,1-3H3/t14-,16+;2*14-,15+;12-,13+/m1111/s1
• InChIKey: NBBBITJPNUPNKS-NDDJBHOMSA-N
• XLogP: 16.29
• TPSA: 258.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1533.84
LogP ≤ 5	16.29
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-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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?

The IUPAC name of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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 (CID 159729461) is (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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.

What is the SMILES notation for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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?

The canonical SMILES for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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 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)n2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C(C)(C)C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1cc(-c2cnn(CCC(C)(F)F)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.

What is the InChIKey of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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?

The InChIKey is NBBBITJPNUPNKS-NDDJBHOMSA-N. The full InChI is InChI=1S/C24H22N4O2.C22H26F2N4O2.C22H28N4O2.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(15-4-5-18(29)8-15)30-21-10-16(9-20-19(21)13-27(3)26-20)17-11-25-28(12-17)7-6-22(2,23)24;1-14(15-6-7-18(27)8-15)28-21-10-16(9-20-19(21)13-25(5)24-20)17-11-23-26(12-17)22(2,3)4;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);9-15H,4-8H2,1-3H3;9-15H,6-8H2,1-5H3;6-7,9-13H,4-5,8H2,1-3H3/t14-,16+;2*14-,15+;12-,13+/m1111/s1.

What are the key properties of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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-[6-(1-tert-butylpyrazol-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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 has a molecular weight of 1533.84 g/mol, XLogP of 16.29, 19 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-4-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[1-(3,3-difluorobutyl)pyrazol-4-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 is sourced from PubChem (CID 159729461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).