5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline

C25H20ClN3O2 — CID 1364215

IUPAC5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
SMILESCOc1cc2c(-c3cccc(Cl)c3)nc3c(c(C)nn3-c3ccccc3)c2cc1OC
InChIInChI=1S/C25H20ClN3O2/c1-15-23-19-13-21(30-2)22(31-3)14-20(19)24(16-8-7-9-17(26)12-16)27-25(23)29(28-15)18-10-5-4-6-11-18/h4-14H,1-3H3
InChIKeyUEXHAYBNDLCBEC-UHFFFAOYSA-N
MW429.91 g/mol
LogP6.22
Rot. Bonds4

About 5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline

5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline (PubChem CID 1364215) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline.

Molecular Properties

Compound Name5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
PubChem CID1364215
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC Name5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
SMILESCOc1cc2c(-c3cccc(Cl)c3)nc3c(c(C)nn3-c3ccccc3)c2cc1OC
InChIInChI=1S/C25H20ClN3O2/c1-15-23-19-13-21(30-2)22(31-3)14-20(19)24(16-8-7-9-17(26)12-16)27-25(23)29(28-15)18-10-5-4-6-11-18/h4-14H,1-3H3
InChIKeyUEXHAYBNDLCBEC-UHFFFAOYSA-N
XLogP6.22
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.91
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline 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

6-Chloro-3-(3,4-Dimethoxyphenyl)-2-Methylimidazo[1,2-B]pyridazin-8-Amine
CID 91757958
5-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 3701632
5-(3,4-Dimethoxyphenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1241324
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1851747
5-Butyl-9-chloro-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 17863130
5-Butyl-8-chloro-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 17863136
5-(1,3-Benzodioxol-5-ylmethyl)-10-chloro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
CID 51037946
6-(4-Chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134142066
6-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207596
2-[(E)-2-[6-[5-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]ethenyl]quinoline
CID 71533674
2-[2-[6-[5-[(3,4-Dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]ethynyl]quinoline
CID 71548335
2-[2-[6-[5-[(3,4-Dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]ethyl]quinoline
CID 71548336

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
The IUPAC name of 5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline (CID 1364215) is 5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline.
What is the SMILES notation for 5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
The canonical SMILES for 5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline is COc1cc2c(-c3cccc(Cl)c3)nc3c(c(C)nn3-c3ccccc3)c2cc1OC.
What is the InChIKey of 5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
The InChIKey is UEXHAYBNDLCBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c1-15-23-19-13-21(30-2)22(31-3)14-20(19)24(16-8-7-9-17(26)12-16)27-25(23)29(28-15)18-10-5-4-6-11-18/h4-14H,1-3H3.
What are the key properties of 5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline has a molecular weight of 429.91 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline is sourced from PubChem (CID 1364215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).