5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline

C25H18Cl2N2O — CID 177153364

IUPAC5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline
SMILESCc1cnn2c(Cl)c(OCc3ccccc3)c3cccc(-c4cccc(Cl)c4)c3c12
InChIInChI=1S/C25H18Cl2N2O/c1-16-14-28-29-23(16)22-20(18-9-5-10-19(26)13-18)11-6-12-21(22)24(25(29)27)30-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyVSPQVTCKMTVLNL-UHFFFAOYSA-N
MW433.34 g/mol
LogP7.35
Rot. Bonds4

About 5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline

5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline (PubChem CID 177153364) has the molecular formula C25H18Cl2N2O and a molecular weight of 433.34 g/mol. Its IUPAC name is 5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline
PubChem CID177153364
Molecular FormulaC25H18Cl2N2O
Molecular Weight433.34 g/mol
Exact Mass432.08
IUPAC Name5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline
SMILESCc1cnn2c(Cl)c(OCc3ccccc3)c3cccc(-c4cccc(Cl)c4)c3c12
InChIInChI=1S/C25H18Cl2N2O/c1-16-14-28-29-23(16)22-20(18-9-5-10-19(26)13-18)11-6-12-21(22)24(25(29)27)30-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyVSPQVTCKMTVLNL-UHFFFAOYSA-N
XLogP7.35
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline
CID 177154178
5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid
CID 162731748
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
4-(3-chlorophenyl)-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
CID 46702727
1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole
CID 141120916
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
sodium 3-[2-(5-chloro-2-phenylmethoxyphenyl)-6-methylphenyl]benzoate
CID 23677039
4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene
CID 173306143
2-(2-bromoethoxy)-1-(3-chlorophenyl)-3-methylbenzene
CID 171037138
1-benzyl-4-(3-chlorophenyl)quinolin-2-one
CID 166442707
4-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117496230

Frequently Asked Questions

What is the IUPAC name of 5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline (CID 177153364) is 5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline is Cc1cnn2c(Cl)c(OCc3ccccc3)c3cccc(-c4cccc(Cl)c4)c3c12.
What is the InChIKey of 5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline?
The InChIKey is VSPQVTCKMTVLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O/c1-16-14-28-29-23(16)22-20(18-9-5-10-19(26)13-18)11-6-12-21(22)24(25(29)27)30-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline?
5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline has a molecular weight of 433.34 g/mol, XLogP of 7.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-10-(3-chlorophenyl)-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 177153364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).