bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate

C109H111Cl8F3N18O6 — CID 158785219

About bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate

bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate (PubChem CID 158785219) has the molecular formula C109H111Cl8F3N18O6 and a molecular weight of 2109.82 g/mol. Its IUPAC name is bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate.

Molecular Properties

• Compound Name: bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate
• PubChem CID: 158785219
• Molecular Formula: C109H111Cl8F3N18O6
• Molecular Weight: 2109.82 g/mol
• Exact Mass: 2104.64
• IUPAC Name: bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(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)C4CCCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nc(C(F)(F)F)c2ccc(C3=CCN(C(=O)C4CCCCN4)CC3)cc21.CCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C3=CCN(C(=O)C4CCCCN4)CC3)ccc12
• InChI: InChI=1S/C28H30Cl2N4O3.C27H27Cl2F3N4O.2C27H27Cl2N5O/c1-2-37-28(36)26-22-9-7-19(15-25(22)34(32-26)17-20-6-8-21(29)16-23(20)30)18-10-13-33(14-11-18)27(35)24-5-3-4-12-31-24;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/h6-10,15-16,24,31H,2-5,11-14,17H2,1H3;5-9,14-16,23,33H,2-4,10-13H2,1H3;2*5-9,14-15,17,24,31H,2-4,10-13H2,1H3
• InChIKey: IROZZIZLVXPWLM-UHFFFAOYSA-N
• XLogP: 23.22
• TPSA: 274.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2109.82
LogP ≤ 5	23.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate?

The IUPAC name of bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate (CID 158785219) is bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate.

What is the SMILES notation for bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate?

The canonical SMILES for bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(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)C4CCCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nc(C(F)(F)F)c2ccc(C3=CCN(C(=O)C4CCCCN4)CC3)cc21.CCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C3=CCN(C(=O)C4CCCCN4)CC3)ccc12.

What is the InChIKey of bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate?

The InChIKey is IROZZIZLVXPWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N4O3.C27H27Cl2F3N4O.2C27H27Cl2N5O/c1-2-37-28(36)26-22-9-7-19(15-25(22)34(32-26)17-20-6-8-21(29)16-23(20)30)18-10-13-33(14-11-18)27(35)24-5-3-4-12-31-24;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/h6-10,15-16,24,31H,2-5,11-14,17H2,1H3;5-9,14-16,23,33H,2-4,10-13H2,1H3;2*5-9,14-15,17,24,31H,2-4,10-13H2,1H3.

What are the key properties of bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate?

bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate has a molecular weight of 2109.82 g/mol, XLogP of 23.22, 18 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(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-[(2,4-dichlorophenyl)methyl]-6-[1-(piperidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]indazole-3-carboxylate is sourced from PubChem (CID 158785219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).