(1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C126H139Cl8F6N25O5 — CID 158492256

About (1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

(1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 158492256) has the molecular formula C126H139Cl8F6N25O5 and a molecular weight of 2481.28 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

• Compound Name: (1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
• PubChem CID: 158492256
• Molecular Formula: C126H139Cl8F6N25O5
• Molecular Weight: 2481.28 g/mol
• Exact Mass: 2475.88
• IUPAC Name: (1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
• SMILES: CC(c1ccc(Cl)cc1C(F)(F)F)n1nnc2ccc(N3CCN(C(=O)[C@H]4CCCN4)[C@H](C)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(C3=CCN(C(=O)C4(N)CCCCC4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)[C@H]4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nnc2ccc(N3CCN(C(=O)[C@H]4CCCN4)C[C@@H]3C)cc21.O=C([C@H]1CCCCN1)N1CC=C(c2ccc3cnn(Cc4ccc(Cl)cc4C(F)(F)F)c3c2)CC1
• InChI: InChI=1S/C27H30Cl2N4O.C26H26ClF3N4O.C25H28ClF3N6O.C24H28Cl2N6O.C24H27Cl2N5O/c1-18(23-8-7-22(28)16-24(23)29)33-25-15-20(5-6-21(25)17-31-33)19-9-13-32(14-10-19)26(34)27(30)11-3-2-4-12-27;27-21-7-6-20(22(14-21)26(28,29)30)16-34-24-13-18(4-5-19(24)15-32-34)17-8-11-33(12-9-17)25(35)23-3-1-2-10-31-23;1-15-14-33(10-11-34(15)24(36)22-4-3-9-30-22)18-6-8-21-23(13-18)35(32-31-21)16(2)19-7-5-17(26)12-20(19)25(27,28)29;1-15-14-30(24(33)22-4-3-9-27-22)10-11-31(15)18-6-8-21-23(13-18)32(29-28-21)16(2)19-7-5-17(25)12-20(19)26;1-16(20-7-5-18(25)13-21(20)26)31-23-14-19(6-4-17(23)15-28-31)29-9-11-30(12-10-29)24(32)22-3-2-8-27-22/h5-9,15-18H,2-4,10-14,30H2,1H3;4-8,13-15,23,31H,1-3,9-12,16H2;5-8,12-13,15-16,22,30H,3-4,9-11,14H2,1-2H3;5-8,12-13,15-16,22,27H,3-4,9-11,14H2,1-2H3;4-7,13-16,22,27H,2-3,8-12H2,1H3/t;23-;15-,16?,22-;15-,16?,22+;16?,22-/m.1101/s1
• InChIKey: HIVNGYKMVWSJEF-QETJQSDQSA-N
• XLogP: 24.74
• TPSA: 300.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2481.28
LogP ≤ 5	24.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?

The IUPAC name of (1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 158492256) is (1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

What is the SMILES notation for (1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?

The canonical SMILES for (1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is CC(c1ccc(Cl)cc1C(F)(F)F)n1nnc2ccc(N3CCN(C(=O)[C@H]4CCCN4)[C@H](C)C3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(C3=CCN(C(=O)C4(N)CCCCC4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(N3CCN(C(=O)[C@H]4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nnc2ccc(N3CCN(C(=O)[C@H]4CCCN4)C[C@@H]3C)cc21.O=C([C@H]1CCCCN1)N1CC=C(c2ccc3cnn(Cc4ccc(Cl)cc4C(F)(F)F)c3c2)CC1.

What is the InChIKey of (1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?

The InChIKey is HIVNGYKMVWSJEF-QETJQSDQSA-N. The full InChI is InChI=1S/C27H30Cl2N4O.C26H26ClF3N4O.C25H28ClF3N6O.C24H28Cl2N6O.C24H27Cl2N5O/c1-18(23-8-7-22(28)16-24(23)29)33-25-15-20(5-6-21(25)17-31-33)19-9-13-32(14-10-19)26(34)27(30)11-3-2-4-12-27;27-21-7-6-20(22(14-21)26(28,29)30)16-34-24-13-18(4-5-19(24)15-32-34)17-8-11-33(12-9-17)25(35)23-3-1-2-10-31-23;1-15-14-33(10-11-34(15)24(36)22-4-3-9-30-22)18-6-8-21-23(13-18)35(32-31-21)16(2)19-7-5-17(26)12-20(19)25(27,28)29;1-15-14-30(24(33)22-4-3-9-27-22)10-11-31(15)18-6-8-21-23(13-18)32(29-28-21)16(2)19-7-5-17(25)12-20(19)26;1-16(20-7-5-18(25)13-21(20)26)31-23-14-19(6-4-17(23)15-28-31)29-9-11-30(12-10-29)24(32)22-3-2-8-27-22/h5-9,15-18H,2-4,10-14,30H2,1H3;4-8,13-15,23,31H,1-3,9-12,16H2;5-8,12-13,15-16,22,30H,3-4,9-11,14H2,1-2H3;5-8,12-13,15-16,22,27H,3-4,9-11,14H2,1-2H3;4-7,13-16,22,27H,2-3,8-12H2,1H3/t;23-;15-,16?,22-;15-,16?,22+;16?,22-/m.1101/s1.

What are the key properties of (1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?

(1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 2481.28 g/mol, XLogP of 24.74, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 158492256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).