(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one

C86H108F2N18O9 — CID 161497579

About (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 161497579) has the molecular formula C86H108F2N18O9 and a molecular weight of 1575.92 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

• Compound Name: (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
• PubChem CID: 161497579
• Molecular Formula: C86H108F2N18O9
• Molecular Weight: 1575.92 g/mol
• Exact Mass: 1574.85
• IUPAC Name: (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
• SMILES: CC(C)n1cc(-c2cc(O[C@H](C)[C@H]3CCC(=O)C3)c3c(F)n(C)nc3c2)cn1.C[C@@H](Oc1nc(-c2cn[nH]c2C(C)(C)C)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn(C(C)(C)C)c3)cc2nn1C.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)O3)nc(-c3cnn(C(C)(C)C)c3)cc2nn1C
• InChI: InChI=1S/C23H30N4O2.C21H26FN5O2.C21H25FN4O2.C21H27N5O3/c1-14-22-20(25-26(14)6)10-17(18-12-24-27(13-18)23(3,4)5)11-21(22)29-15(2)16-7-8-19(28)9-16;1-11(12-6-7-13(28)8-12)29-20-17-16(26-27(5)19(17)22)9-15(24-20)14-10-23-25-18(14)21(2,3)4;1-12(2)26-11-16(10-23-26)15-8-18-20(21(22)25(4)24-18)19(9-15)28-13(3)14-5-6-17(27)7-14;1-12-19-16(24-25(12)6)9-15(14-10-22-26(11-14)21(3,4)5)23-20(19)28-13(2)17-7-8-18(27)29-17/h10-13,15-16H,7-9H2,1-6H3;9-12H,6-8H2,1-5H3,(H,23,25);8-14H,5-7H2,1-4H3;9-11,13,17H,7-8H2,1-6H3/t15-,16+;11-,12+;13-,14+;13-,17-/m1111/s1
• InChIKey: WGKKWYAPVBICPN-AIZLIZMDSA-N
• XLogP: 16.23
• TPSA: 293.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1575.92
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one?

The IUPAC name of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one (CID 161497579) is (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one.

What is the SMILES notation for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one?

The canonical SMILES for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one is CC(C)n1cc(-c2cc(O[C@H](C)[C@H]3CCC(=O)C3)c3c(F)n(C)nc3c2)cn1.C[C@@H](Oc1nc(-c2cn[nH]c2C(C)(C)C)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn(C(C)(C)C)c3)cc2nn1C.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)O3)nc(-c3cnn(C(C)(C)C)c3)cc2nn1C.

What is the InChIKey of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one?

The InChIKey is WGKKWYAPVBICPN-AIZLIZMDSA-N. The full InChI is InChI=1S/C23H30N4O2.C21H26FN5O2.C21H25FN4O2.C21H27N5O3/c1-14-22-20(25-26(14)6)10-17(18-12-24-27(13-18)23(3,4)5)11-21(22)29-15(2)16-7-8-19(28)9-16;1-11(12-6-7-13(28)8-12)29-20-17-16(26-27(5)19(17)22)9-15(24-20)14-10-23-25-18(14)21(2,3)4;1-12(2)26-11-16(10-23-26)15-8-18-20(21(22)25(4)24-18)19(9-15)28-13(3)14-5-6-17(27)7-14;1-12-19-16(24-25(12)6)9-15(14-10-22-26(11-14)21(3,4)5)23-20(19)28-13(2)17-7-8-18(27)29-17/h10-13,15-16H,7-9H2,1-6H3;9-12H,6-8H2,1-5H3,(H,23,25);8-14H,5-7H2,1-4H3;9-11,13,17H,7-8H2,1-6H3/t15-,16+;11-,12+;13-,14+;13-,17-/m1111/s1.

What are the key properties of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one?

(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1575.92 g/mol, XLogP of 16.23, 17 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]oxolan-2-one;(3S)-3-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-3-fluoro-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[3-fluoro-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 161497579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).