6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C27H18Cl2F3N3O — CID 17307964

IUPAC6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C27H18Cl2F3N3O/c1-16-25-22(27(30,31)32)14-24(33-26(25)35(34-16)20-5-3-2-4-6-20)17-8-11-21(12-9-17)36-15-18-7-10-19(28)13-23(18)29/h2-14H,15H2,1H3
InChIKeyCOPNJGROFWRUGB-UHFFFAOYSA-N
MW528.36 g/mol
LogP8.30
Rot. Bonds5

About 6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17307964) has the molecular formula C27H18Cl2F3N3O and a molecular weight of 528.36 g/mol. Its IUPAC name is 6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17307964
Molecular FormulaC27H18Cl2F3N3O
Molecular Weight528.36 g/mol
Exact Mass527.08
IUPAC Name6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C27H18Cl2F3N3O/c1-16-25-22(27(30,31)32)14-24(33-26(25)35(34-16)20-5-3-2-4-6-20)17-8-11-21(12-9-17)36-15-18-7-10-19(28)13-23(18)29/h2-14H,15H2,1H3
InChIKeyCOPNJGROFWRUGB-UHFFFAOYSA-N
XLogP8.30
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.36
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308185
6-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-(3-chlorophenyl)-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17309053
1-(3,4-dichlorophenyl)-6-(4-hexoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308119
3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308198
3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 3864258
6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308101
6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308154
6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090878
1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308117
4-[1-benzyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol
CID 135562179
1-benzyl-3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497825
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-benzothiazole
CID 91678634

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17307964) is 6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(-c2ccccc2)c2nc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc(C(F)(F)F)c12.
What is the InChIKey of 6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is COPNJGROFWRUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2F3N3O/c1-16-25-22(27(30,31)32)14-24(33-26(25)35(34-16)20-5-3-2-4-6-20)17-8-11-21(12-9-17)36-15-18-7-10-19(28)13-23(18)29/h2-14H,15H2,1H3.
What are the key properties of 6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 528.36 g/mol, XLogP of 8.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17307964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).