[4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile

C159H123Cl2N39O6 — CID 157470573

About [4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile

[4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile (PubChem CID 157470573) has the molecular formula C159H123Cl2N39O6 and a molecular weight of 2746.91 g/mol. Its IUPAC name is [4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile.

Molecular Properties

• Compound Name: [4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
• PubChem CID: 157470573
• Molecular Formula: C159H123Cl2N39O6
• Molecular Weight: 2746.91 g/mol
• Exact Mass: 2743.99
• IUPAC Name: [4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
• SMILES: CON(C)c1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.Cc1cc(C(O)(c2ccc(C#N)nc2)c2cncn2C)cc2c(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)nc12.Cc1ccc(C(O)(c2ccc3nc(C#N)c(Cc4ccc(-n5cccn5)cc4)c(C#N)c3c2)c2cncn2C)cn1.Cc1ccc(C(O)(c2ccc3nc(C#N)c(Cc4ccc(-n5cccn5)cc4)cc3c2)c2cncn2C)cn1.Cn1cncc1C(O)(c1ccc(Cl)nc1)c1ccc2nc(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)c2c1
• InChI: InChI=1S/C33H23N9O.C32H30ClN7O2.C32H24N8O.C31H21ClN8O.C31H25N7O/c1-21-12-24(33(43,31-19-37-20-41(31)2)23-6-7-25(15-34)38-18-23)14-28-29(16-35)27(30(17-36)40-32(21)28)13-22-4-8-26(9-5-22)42-11-3-10-39-42;1-21-6-9-24(18-35-21)32(41,29-19-34-20-38(29)2)23-10-13-28-26(17-23)30(33)27(31(37-28)39(3)42-4)16-22-7-11-25(12-8-22)40-15-5-14-36-40;1-21-4-7-24(18-36-21)32(41,31-19-35-20-39(31)2)23-8-11-29-27(15-23)28(16-33)26(30(17-34)38-29)14-22-5-9-25(10-6-22)40-13-3-12-37-40;1-39-19-35-18-29(39)31(41,22-6-10-30(32)36-17-22)21-5-9-27-25(14-21)26(15-33)24(28(16-34)38-27)13-20-3-7-23(8-4-20)40-12-2-11-37-40;1-21-4-7-26(18-34-21)31(39,30-19-33-20-37(30)2)25-8-11-28-24(16-25)15-23(29(17-32)36-28)14-22-5-9-27(10-6-22)38-13-3-12-35-38/h3-12,14,18-20,43H,13H2,1-2H3;5-15,17-20,41H,16H2,1-4H3;3-13,15,18-20,41H,14H2,1-2H3;2-12,14,17-19,41H,13H2,1H3;3-13,15-16,18-20,39H,14H2,1-2H3
• InChIKey: BUZFTQBQBDHRFH-UHFFFAOYSA-N
• XLogP: 23.63
• TPSA: 611.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 45
• Rotatable Bonds: 32
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2746.91
LogP ≤ 5	23.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile?

The IUPAC name of [4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile (CID 157470573) is [4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile.

What is the SMILES notation for [4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile?

The canonical SMILES for [4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile is CON(C)c1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.Cc1cc(C(O)(c2ccc(C#N)nc2)c2cncn2C)cc2c(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)nc12.Cc1ccc(C(O)(c2ccc3nc(C#N)c(Cc4ccc(-n5cccn5)cc4)c(C#N)c3c2)c2cncn2C)cn1.Cc1ccc(C(O)(c2ccc3nc(C#N)c(Cc4ccc(-n5cccn5)cc4)cc3c2)c2cncn2C)cn1.Cn1cncc1C(O)(c1ccc(Cl)nc1)c1ccc2nc(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)c2c1.

What is the InChIKey of [4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile?

The InChIKey is BUZFTQBQBDHRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N9O.C32H30ClN7O2.C32H24N8O.C31H21ClN8O.C31H25N7O/c1-21-12-24(33(43,31-19-37-20-41(31)2)23-6-7-25(15-34)38-18-23)14-28-29(16-35)27(30(17-36)40-32(21)28)13-22-4-8-26(9-5-22)42-11-3-10-39-42;1-21-6-9-24(18-35-21)32(41,29-19-34-20-38(29)2)23-10-13-28-26(17-23)30(33)27(31(37-28)39(3)42-4)16-22-7-11-25(12-8-22)40-15-5-14-36-40;1-21-4-7-24(18-36-21)32(41,31-19-35-20-39(31)2)23-8-11-29-27(15-23)28(16-33)26(30(17-34)38-29)14-22-5-9-25(10-6-22)40-13-3-12-37-40;1-39-19-35-18-29(39)31(41,22-6-10-30(32)36-17-22)21-5-9-27-25(14-21)26(15-33)24(28(16-34)38-27)13-20-3-7-23(8-4-20)40-12-2-11-37-40;1-21-4-7-26(18-34-21)31(39,30-19-33-20-37(30)2)25-8-11-28-24(16-25)15-23(29(17-32)36-28)14-22-5-9-27(10-6-22)38-13-3-12-35-38/h3-12,14,18-20,43H,13H2,1-2H3;5-15,17-20,41H,16H2,1-4H3;3-13,15,18-20,41H,14H2,1-2H3;2-12,14,17-19,41H,13H2,1H3;3-13,15-16,18-20,39H,14H2,1-2H3.

What are the key properties of [4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile?

[4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile has a molecular weight of 2746.91 g/mol, XLogP of 23.63, 32 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-2-[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[(6-cyano-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile is sourced from PubChem (CID 157470573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).