[3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C68H62ClF6N15O5 — CID 146259762

About [3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

[3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 146259762) has the molecular formula C68H62ClF6N15O5 and a molecular weight of 1318.78 g/mol. Its IUPAC name is [3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: [3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
• PubChem CID: 146259762
• Molecular Formula: C68H62ClF6N15O5
• Molecular Weight: 1318.78 g/mol
• Exact Mass: 1317.47
• IUPAC Name: [3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
• SMILES: COCCN(Cc1cnn(-c2ccc(Cc3c(N(C)OC)nc4ccc(C(O)(c5ccc(C(F)(F)F)nc5)c5cncn5C)cc4c3N(C)OC)cc2)c1)c1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1
• InChI: InChI=1S/C68H62ClF6N15O5/c1-84-40-76-36-59(84)65(91,47-15-23-57(78-34-47)67(70,71)72)45-13-21-55-51(31-45)61(69)53(29-42-9-17-49(18-10-42)89-26-8-25-80-89)64(83-55)88(27-28-93-5)38-44-33-81-90(39-44)50-19-11-43(12-20-50)30-54-62(86(3)94-6)52-32-46(14-22-56(52)82-63(54)87(4)95-7)66(92,60-37-77-41-85(60)2)48-16-24-58(79-35-48)68(73,74)75/h8-26,31-37,39-41,91-92H,27-30,38H2,1-7H3
• InChIKey: IVBAEVMISQUWLZ-UHFFFAOYSA-N
• XLogP: 11.50
• TPSA: 200.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1318.78
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The IUPAC name of [3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 146259762) is [3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

What is the SMILES notation for [3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The canonical SMILES for [3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is COCCN(Cc1cnn(-c2ccc(Cc3c(N(C)OC)nc4ccc(C(O)(c5ccc(C(F)(F)F)nc5)c5cncn5C)cc4c3N(C)OC)cc2)c1)c1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.

What is the InChIKey of [3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The InChIKey is IVBAEVMISQUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H62ClF6N15O5/c1-84-40-76-36-59(84)65(91,47-15-23-57(78-34-47)67(70,71)72)45-13-21-55-51(31-45)61(69)53(29-42-9-17-49(18-10-42)89-26-8-25-80-89)64(83-55)88(27-28-93-5)38-44-33-81-90(39-44)50-19-11-43(12-20-50)30-54-62(86(3)94-6)52-32-46(14-22-56(52)82-63(54)87(4)95-7)66(92,60-37-77-41-85(60)2)48-16-24-58(79-35-48)68(73,74)75/h8-26,31-37,39-41,91-92H,27-30,38H2,1-7H3.

What are the key properties of [3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

[3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 1318.78 g/mol, XLogP of 11.50, 22 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[4-[4-[[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 146259762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).