3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride

C96H91Cl2F6N11O3 — CID 161495086

About 3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride

3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride (PubChem CID 161495086) has the molecular formula C96H91Cl2F6N11O3 and a molecular weight of 1631.75 g/mol. Its IUPAC name is 3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride.

Molecular Properties

• Compound Name: 3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride
• PubChem CID: 161495086
• Molecular Formula: C96H91Cl2F6N11O3
• Molecular Weight: 1631.75 g/mol
• Exact Mass: 1629.66
• IUPAC Name: 3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride
• SMILES: CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCC(F)(F)C3)c1)=NC2.CC(C)Oc1ccc2c(c1)c(-c1ccnc(Cl)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)Oc1ccc2c(c1)c(-c1ccnc(N3CCC(F)(F)C3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Cl.FC1(F)CCNC1
• InChI: InChI=1S/C38H34F2N4O.C34H28ClN3O.C20H21F2N3O.C4H7F2N.ClH/c1-27(2)45-32-18-19-34-33(25-32)36(28-20-22-41-35(24-28)43-23-21-37(39,40)26-43)42-44(34)38(29-12-6-3-7-13-29,30-14-8-4-9-15-30)31-16-10-5-11-17-31;1-24(2)39-29-18-19-31-30(23-29)33(25-20-21-36-32(35)22-25)37-38(31)34(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-13(2)26-16-4-3-15-11-24-19(17(15)10-16)14-5-7-23-18(9-14)25-8-6-20(21,22)12-25;5-4(6)1-2-7-3-4;/h3-20,22,24-25,27H,21,23,26H2,1-2H3;3-24H,1-2H3;3-5,7,9-10,13H,6,8,11-12H2,1-2H3;7H,1-3H2;1H
• InChIKey: FGLYGJHGDNSYPU-UHFFFAOYSA-N
• XLogP: 22.05
• TPSA: 132.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1631.75
LogP ≤ 5	22.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride?

The IUPAC name of 3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride (CID 161495086) is 3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride.

What is the SMILES notation for 3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride?

The canonical SMILES for 3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride is CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCC(F)(F)C3)c1)=NC2.CC(C)Oc1ccc2c(c1)c(-c1ccnc(Cl)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)Oc1ccc2c(c1)c(-c1ccnc(N3CCC(F)(F)C3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Cl.FC1(F)CCNC1.

What is the InChIKey of 3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride?

The InChIKey is FGLYGJHGDNSYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34F2N4O.C34H28ClN3O.C20H21F2N3O.C4H7F2N.ClH/c1-27(2)45-32-18-19-34-33(25-32)36(28-20-22-41-35(24-28)43-23-21-37(39,40)26-43)42-44(34)38(29-12-6-3-7-13-29,30-14-8-4-9-15-30)31-16-10-5-11-17-31;1-24(2)39-29-18-19-31-30(23-29)33(25-20-21-36-32(35)22-25)37-38(31)34(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-13(2)26-16-4-3-15-11-24-19(17(15)10-16)14-5-7-23-18(9-14)25-8-6-20(21,22)12-25;5-4(6)1-2-7-3-4;/h3-20,22,24-25,27H,21,23,26H2,1-2H3;3-24H,1-2H3;3-5,7,9-10,13H,6,8,11-12H2,1-2H3;7H,1-3H2;1H.

What are the key properties of 3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride?

3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride has a molecular weight of 1631.75 g/mol, XLogP of 22.05, 19 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride is sourced from PubChem (CID 161495086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).