[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol

C119H95Cl8F2N19O6S — CID 159947231

About [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol

[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol (PubChem CID 159947231) has the molecular formula C119H95Cl8F2N19O6S and a molecular weight of 2240.88 g/mol. Its IUPAC name is [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol.

Molecular Properties

• Compound Name: [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol
• PubChem CID: 159947231
• Molecular Formula: C119H95Cl8F2N19O6S
• Molecular Weight: 2240.88 g/mol
• Exact Mass: 2235.49
• IUPAC Name: [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol
• SMILES: COc1nc2c(C)cc(C(O)(c3ccc(C(C)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.Cn1cccc1C(O)(c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1cncn1C.OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3cccs3)c(Cl)c2c1
• InChI: InChI=1S/C33H29ClF2N6O2.C31H25Cl2N5O2.C29H24Cl2N6O.C26H17Cl3N2OS/c1-20-14-23(33(43,28-18-37-19-41(28)3)22-8-11-27(38-17-22)32(2,35)36)16-25-29(34)26(31(44-4)40-30(20)25)15-21-6-9-24(10-7-21)42-13-5-12-39-42;1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38;1-35-13-3-5-25(35)29(38,26-17-32-18-36(26)2)20-8-11-24-22(16-20)27(30)23(28(31)34-24)15-19-6-9-21(10-7-19)37-14-4-12-33-37;27-19-6-1-4-16(12-19)26(32,18-5-2-10-30-15-18)17-8-9-23-21(13-17)24(28)22(25(29)31-23)14-20-7-3-11-33-20/h5-14,16-19,43H,15H2,1-4H3;3-15,17-19,39H,16H2,1-2H3;3-14,16-18,38H,15H2,1-2H3;1-13,15,32H,14H2
• InChIKey: OBQKAWJBOVVZSP-UHFFFAOYSA-N
• XLogP: 26.05
• TPSA: 288.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2240.88
LogP ≤ 5	26.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol?

The IUPAC name of [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol (CID 159947231) is [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol.

What is the SMILES notation for [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol?

The canonical SMILES for [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol is COc1nc2c(C)cc(C(O)(c3ccc(C(C)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.Cn1cccc1C(O)(c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1cncn1C.OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3cccs3)c(Cl)c2c1.

What is the InChIKey of [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol?

The InChIKey is OBQKAWJBOVVZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29ClF2N6O2.C31H25Cl2N5O2.C29H24Cl2N6O.C26H17Cl3N2OS/c1-20-14-23(33(43,28-18-37-19-41(28)3)22-8-11-27(38-17-22)32(2,35)36)16-25-29(34)26(31(44-4)40-30(20)25)15-21-6-9-24(10-7-21)42-13-5-12-39-42;1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38;1-35-13-3-5-25(35)29(38,26-17-32-18-36(26)2)20-8-11-24-22(16-20)27(30)23(28(31)34-24)15-19-6-9-21(10-7-19)37-14-4-12-33-37;27-19-6-1-4-16(12-19)26(32,18-5-2-10-30-15-18)17-8-9-23-21(13-17)24(28)22(25(29)31-23)14-20-7-3-11-33-20/h5-14,16-19,43H,15H2,1-4H3;3-15,17-19,39H,16H2,1-2H3;3-14,16-18,38H,15H2,1-2H3;1-13,15,32H,14H2.

What are the key properties of [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol?

[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol has a molecular weight of 2240.88 g/mol, XLogP of 26.05, 26 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-[2,4-dichloro-3-(thiophen-2-ylmethyl)quinolin-6-yl]-pyridin-3-ylmethanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol is sourced from PubChem (CID 159947231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).