[4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C34H29ClF3N7O2 — CID 118006233

IUPAC[4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCOCC3)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1
InChIInChI=1S/C34H29ClF3N7O2/c1-43-21-39-20-30(43)33(46,24-6-10-29(40-19-24)34(36,37)38)23-5-9-28-26(18-23)31(35)27(32(42-28)44-13-15-47-16-14-44)17-22-3-7-25(8-4-22)45-12-2-11-41-45/h2-12,18-21,46H,13-17H2,1H3
InChIKeyGALLRUNKDAVIAD-UHFFFAOYSA-N
MW660.10 g/mol
LogP5.93
Rot. Bonds7

About [4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

[4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118006233) has the molecular formula C34H29ClF3N7O2 and a molecular weight of 660.10 g/mol. Its IUPAC name is [4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118006233
Molecular FormulaC34H29ClF3N7O2
Molecular Weight660.10 g/mol
Exact Mass659.20
IUPAC Name[4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCOCC3)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1
InChIInChI=1S/C34H29ClF3N7O2/c1-43-21-39-20-30(43)33(46,24-6-10-29(40-19-24)34(36,37)38)23-5-9-28-26(18-23)31(35)27(32(42-28)44-13-15-47-16-14-44)17-22-3-7-25(8-4-22)45-12-2-11-41-45/h2-12,18-21,46H,13-17H2,1H3
InChIKeyGALLRUNKDAVIAD-UHFFFAOYSA-N
XLogP5.93
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.10
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 118006233) is [4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCOCC3)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1.
What is the InChIKey of [4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is GALLRUNKDAVIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29ClF3N7O2/c1-43-21-39-20-30(43)33(46,24-6-10-29(40-19-24)34(36,37)38)23-5-9-28-26(18-23)31(35)27(32(42-28)44-13-15-47-16-14-44)17-22-3-7-25(8-4-22)45-12-2-11-41-45/h2-12,18-21,46H,13-17H2,1H3.
What are the key properties of [4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
[4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 660.10 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-morpholin-4-yl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118006233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).