1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate

C110H113Cl8F3N18O6 — CID 162114336

About 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate

1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate (PubChem CID 162114336) has the molecular formula C110H113Cl8F3N18O6 and a molecular weight of 2123.85 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate.

Molecular Properties

• Compound Name: 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate
• PubChem CID: 162114336
• Molecular Formula: C110H113Cl8F3N18O6
• Molecular Weight: 2123.85 g/mol
• Exact Mass: 2118.66
• IUPAC Name: 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate
• SMILES: CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ccc(C3=CCN(C(=O)C4CCCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ccc(C3=CCN(C(=O)[C@H]4CCCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nc(C(F)(F)F)c2ccc(C3=CCN(C(=O)C4CCCCN4)CC3)cc21.CCOC(=O)c1nn(C(C)c2ccc(Cl)cc2Cl)c2cc(C3=CCN(C(=O)[C@H]4CCCCN4)CC3)ccc12
• InChI: InChI=1S/C29H32Cl2N4O3.C27H27Cl2F3N4O.2C27H27Cl2N5O/c1-3-38-29(37)27-23-9-7-20(19-11-14-34(15-12-19)28(36)25-6-4-5-13-32-25)16-26(23)35(33-27)18(2)22-10-8-21(30)17-24(22)31;1-16(20-8-6-19(28)15-22(20)29)36-24-14-18(5-7-21(24)25(34-36)27(30,31)32)17-9-12-35(13-10-17)26(37)23-4-2-3-11-33-23;2*1-17(21-8-6-20(28)15-23(21)29)34-26-14-19(5-7-22(26)25(16-30)32-34)18-9-12-33(13-10-18)27(35)24-4-2-3-11-31-24/h7-11,16-18,25,32H,3-6,12-15H2,1-2H3;5-9,14-16,23,33H,2-4,10-13H2,1H3;2*5-9,14-15,17,24,31H,2-4,10-13H2,1H3/t18?,25-;;17?,24-;/m1.1./s1
• InChIKey: ZGOJYQLFKZBMMA-RDJSDNITSA-N
• XLogP: 23.78
• TPSA: 274.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.85
LogP ≤ 5	23.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate?

The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate (CID 162114336) is 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate.

What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate?

The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate is CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ccc(C3=CCN(C(=O)C4CCCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ccc(C3=CCN(C(=O)[C@H]4CCCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nc(C(F)(F)F)c2ccc(C3=CCN(C(=O)C4CCCCN4)CC3)cc21.CCOC(=O)c1nn(C(C)c2ccc(Cl)cc2Cl)c2cc(C3=CCN(C(=O)[C@H]4CCCCN4)CC3)ccc12.

What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate?

The InChIKey is ZGOJYQLFKZBMMA-RDJSDNITSA-N. The full InChI is InChI=1S/C29H32Cl2N4O3.C27H27Cl2F3N4O.2C27H27Cl2N5O/c1-3-38-29(37)27-23-9-7-20(19-11-14-34(15-12-19)28(36)25-6-4-5-13-32-25)16-26(23)35(33-27)18(2)22-10-8-21(30)17-24(22)31;1-16(20-8-6-19(28)15-22(20)29)36-24-14-18(5-7-21(24)25(34-36)27(30,31)32)17-9-12-35(13-10-17)26(37)23-4-2-3-11-33-23;2*1-17(21-8-6-20(28)15-23(21)29)34-26-14-19(5-7-22(26)25(16-30)32-34)18-9-12-33(13-10-18)27(35)24-4-2-3-11-31-24/h7-11,16-18,25,32H,3-6,12-15H2,1-2H3;5-9,14-16,23,33H,2-4,10-13H2,1H3;2*5-9,14-15,17,24,31H,2-4,10-13H2,1H3/t18?,25-;;17?,24-;/m1.1./s1.

What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate?

1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate has a molecular weight of 2123.85 g/mol, XLogP of 23.78, 18 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carbonitrile;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone;ethyl 1-[1-(2,4-dichlorophenyl)ethyl]-6-[1-[(2R)-piperidine-2-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate is sourced from PubChem (CID 162114336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).