3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one

C135H172Cl2N18O14 — CID 158075215

About 3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one

3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one (PubChem CID 158075215) has the molecular formula C135H172Cl2N18O14 and a molecular weight of 2341.88 g/mol. Its IUPAC name is 3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one.

Molecular Properties

• Compound Name: 3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one
• PubChem CID: 158075215
• Molecular Formula: C135H172Cl2N18O14
• Molecular Weight: 2341.88 g/mol
• Exact Mass: 2339.27
• IUPAC Name: 3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one
• SMILES: CC(C)Oc1cccc2n[nH]c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12.CC(CC(=O)N1C2CC3CC1CC(CO)(C3)C2)c1[nH]nc2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1[nH]nc2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1[nH]nc2cccc(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1[nH]nc2cccc(OC3CC3)c12.COc1ccc2n[nH]c(C(C)CC(=O)N3C4CC5CC3CC(C)(C5)C4)c2c1Cl
• InChI: InChI=1S/C24H31N3O2.C23H29N3O3.C23H31N3O3.C23H29N3O2.C22H28ClN3O2.C20H24ClN3O2/c1-14(23-22-19(16-5-6-16)3-2-4-20(22)25-26-23)7-21(29)27-17-8-15-9-18(27)12-24(10-15,11-17)13-28;1-13(22-21-18(24-25-22)3-2-4-19(21)29-17-5-6-17)7-20(27)26-15-8-14-9-16(26)12-23(28,10-14)11-15;1-13(2)29-19-6-4-5-18-21(19)22(25-24-18)14(3)7-20(27)26-16-8-15-9-17(26)12-23(28,10-15)11-16;1-13(22-21-18(15-5-6-15)3-2-4-19(21)24-25-22)7-20(27)26-16-8-14-9-17(26)12-23(28,10-14)11-16;1-12(21-19-16(24-25-21)4-5-17(28-3)20(19)23)6-18(27)26-14-7-13-8-15(26)11-22(2,9-13)10-14;1-11(19-18-15(21)3-2-4-16(18)22-23-19)5-17(25)24-13-6-12-7-14(24)10-20(26,8-12)9-13/h2-4,14-18,28H,5-13H2,1H3,(H,25,26);2-4,13-17,28H,5-12H2,1H3,(H,24,25);4-6,13-17,28H,7-12H2,1-3H3,(H,24,25);2-4,13-17,28H,5-12H2,1H3,(H,24,25);4-5,12-15H,6-11H2,1-3H3,(H,24,25);2-4,11-14,26H,5-10H2,1H3,(H,22,23)
• InChIKey: FMHCBWGCIYJJEA-UHFFFAOYSA-N
• XLogP: 23.69
• TPSA: 422.78 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2341.88
LogP ≤ 5	23.69
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one?

The IUPAC name of 3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one (CID 158075215) is 3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one.

What is the SMILES notation for 3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one?

The canonical SMILES for 3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one is CC(C)Oc1cccc2n[nH]c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12.CC(CC(=O)N1C2CC3CC1CC(CO)(C3)C2)c1[nH]nc2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1[nH]nc2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1[nH]nc2cccc(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1[nH]nc2cccc(OC3CC3)c12.COc1ccc2n[nH]c(C(C)CC(=O)N3C4CC5CC3CC(C)(C5)C4)c2c1Cl.

What is the InChIKey of 3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one?

The InChIKey is FMHCBWGCIYJJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2.C23H29N3O3.C23H31N3O3.C23H29N3O2.C22H28ClN3O2.C20H24ClN3O2/c1-14(23-22-19(16-5-6-16)3-2-4-20(22)25-26-23)7-21(29)27-17-8-15-9-18(27)12-24(10-15,11-17)13-28;1-13(22-21-18(24-25-22)3-2-4-19(21)29-17-5-6-17)7-20(27)26-15-8-14-9-16(26)12-23(28,10-14)11-15;1-13(2)29-19-6-4-5-18-21(19)22(25-24-18)14(3)7-20(27)26-16-8-15-9-17(26)12-23(28,10-15)11-16;1-13(22-21-18(15-5-6-15)3-2-4-19(21)24-25-22)7-20(27)26-16-8-14-9-17(26)12-23(28,10-14)11-16;1-12(21-19-16(24-25-21)4-5-17(28-3)20(19)23)6-18(27)26-14-7-13-8-15(26)11-22(2,9-13)10-14;1-11(19-18-15(21)3-2-4-16(18)22-23-19)5-17(25)24-13-6-12-7-14(24)10-20(26,8-12)9-13/h2-4,14-18,28H,5-13H2,1H3,(H,25,26);2-4,13-17,28H,5-12H2,1H3,(H,24,25);4-6,13-17,28H,7-12H2,1-3H3,(H,24,25);2-4,13-17,28H,5-12H2,1H3,(H,24,25);4-5,12-15H,6-11H2,1-3H3,(H,24,25);2-4,11-14,26H,5-10H2,1H3,(H,22,23).

What are the key properties of 3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one?

3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one has a molecular weight of 2341.88 g/mol, XLogP of 23.69, 26 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-methoxy-2H-indazol-3-yl)-1-(5-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-2H-indazol-3-yl)-1-[5-(hydroxymethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyloxy-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-2H-indazol-3-yl)butan-1-one is sourced from PubChem (CID 158075215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).