6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone

C105H115Cl8N19O4 — CID 157228970

About 6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone

6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 157228970) has the molecular formula C105H115Cl8N19O4 and a molecular weight of 1990.83 g/mol. Its IUPAC name is 6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

• Compound Name: 6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
• PubChem CID: 157228970
• Molecular Formula: C105H115Cl8N19O4
• Molecular Weight: 1990.83 g/mol
• Exact Mass: 1985.69
• IUPAC Name: 6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
• SMILES: CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ccc(C3=CCN(C(=O)C4(N)CCCC4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(C3=CCN(C(=O)C4(CN)CCCCC4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(C3=CCN(C(=O)C4(N)CCCC4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nnc2ccc(N3CCN(C(=O)C4CCCN4)[C@H](C)C3)cc21
• InChI: InChI=1S/C28H32Cl2N4O.C27H27Cl2N5O.C26H28Cl2N4O.C24H28Cl2N6O/c1-19(24-8-7-23(29)16-25(24)30)34-26-15-21(5-6-22(26)17-32-34)20-9-13-33(14-10-20)27(35)28(18-31)11-3-2-4-12-28;1-17(21-7-5-20(28)15-23(21)29)34-25-14-19(4-6-22(25)24(16-30)32-34)18-8-12-33(13-9-18)26(35)27(31)10-2-3-11-27;1-17(22-7-6-21(27)15-23(22)28)32-24-14-19(4-5-20(24)16-30-32)18-8-12-31(13-9-18)25(33)26(29)10-2-3-11-26;1-15-14-30(10-11-31(15)24(33)22-4-3-9-27-22)18-6-8-21-23(13-18)32(29-28-21)16(2)19-7-5-17(25)12-20(19)26/h5-9,15-17,19H,2-4,10-14,18,31H2,1H3;4-8,14-15,17H,2-3,9-13,31H2,1H3;4-8,14-17H,2-3,9-13,29H2,1H3;5-8,12-13,15-16,22,27H,3-4,9-11,14H2,1-2H3/t;;;15-,16?,22?/m...1/s1
• InChIKey: ATWPOPKKMSKXHT-BHPSEGCWSA-N
• XLogP: 22.16
• TPSA: 282.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1990.83
LogP ≤ 5	22.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone?

The IUPAC name of 6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone (CID 157228970) is 6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone.

What is the SMILES notation for 6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone?

The canonical SMILES for 6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone is CC(c1ccc(Cl)cc1Cl)n1nc(C#N)c2ccc(C3=CCN(C(=O)C4(N)CCCC4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(C3=CCN(C(=O)C4(CN)CCCCC4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1ncc2ccc(C3=CCN(C(=O)C4(N)CCCC4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nnc2ccc(N3CCN(C(=O)C4CCCN4)[C@H](C)C3)cc21.

What is the InChIKey of 6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone?

The InChIKey is ATWPOPKKMSKXHT-BHPSEGCWSA-N. The full InChI is InChI=1S/C28H32Cl2N4O.C27H27Cl2N5O.C26H28Cl2N4O.C24H28Cl2N6O/c1-19(24-8-7-23(29)16-25(24)30)34-26-15-21(5-6-22(26)17-32-34)20-9-13-33(14-10-20)27(35)28(18-31)11-3-2-4-12-28;1-17(21-7-5-20(28)15-23(21)29)34-25-14-19(4-6-22(25)24(16-30)32-34)18-8-12-33(13-9-18)26(35)27(31)10-2-3-11-27;1-17(22-7-6-21(27)15-23(22)28)32-24-14-19(4-5-20(24)16-30-32)18-8-12-31(13-9-18)25(33)26(29)10-2-3-11-26;1-15-14-30(10-11-31(15)24(33)22-4-3-9-27-22)18-6-8-21-23(13-18)32(29-28-21)16(2)19-7-5-17(25)12-20(19)26/h5-9,15-17,19H,2-4,10-14,18,31H2,1H3;4-8,14-15,17H,2-3,9-13,31H2,1H3;4-8,14-17H,2-3,9-13,29H2,1H3;5-8,12-13,15-16,22,27H,3-4,9-11,14H2,1-2H3/t;;;15-,16?,22?/m...1/s1.

What are the key properties of 6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone?

6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 1990.83 g/mol, XLogP of 22.16, 17 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(1-aminocyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carbonitrile;(1-aminocyclopentyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[1-(aminomethyl)cyclohexyl]-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 157228970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).