5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline

C25H19Cl2N3O2 — CID 2263257

IUPAC5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
SMILESCOc1cc2c(-c3cccc(Cl)c3Cl)nc3c(c(C)nn3-c3ccccc3)c2cc1OC
InChIInChI=1S/C25H19Cl2N3O2/c1-14-22-17-12-20(31-2)21(32-3)13-18(17)24(16-10-7-11-19(26)23(16)27)28-25(22)30(29-14)15-8-5-4-6-9-15/h4-13H,1-3H3
InChIKeyFRRBZGDLWJCOCO-UHFFFAOYSA-N
MW464.35 g/mol
LogP6.87
Rot. Bonds4

About 5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline

5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline (PubChem CID 2263257) has the molecular formula C25H19Cl2N3O2 and a molecular weight of 464.35 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
PubChem CID2263257
Molecular FormulaC25H19Cl2N3O2
Molecular Weight464.35 g/mol
Exact Mass463.09
IUPAC Name5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
SMILESCOc1cc2c(-c3cccc(Cl)c3Cl)nc3c(c(C)nn3-c3ccccc3)c2cc1OC
InChIInChI=1S/C25H19Cl2N3O2/c1-14-22-17-12-20(31-2)21(32-3)13-18(17)24(16-10-7-11-19(26)23(16)27)28-25(22)30(29-14)15-8-5-4-6-9-15/h4-13H,1-3H3
InChIKeyFRRBZGDLWJCOCO-UHFFFAOYSA-N
XLogP6.87
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.35
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-bromophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
CID 2867164
5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline
CID 2230824
2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol
CID 139193360
4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
CID 17025751
methyl 4-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743206
4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
CID 126743745
1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine
CID 17309001
N-(3-chloro-4-methoxyphenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602953
7,8-dimethoxy-1,5-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 4905828
1-benzyl-5-(4-ethoxyphenyl)-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline
CID 2230110
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247
4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162655433

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
The IUPAC name of 5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline (CID 2263257) is 5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
The canonical SMILES for 5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline is COc1cc2c(-c3cccc(Cl)c3Cl)nc3c(c(C)nn3-c3ccccc3)c2cc1OC.
What is the InChIKey of 5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
The InChIKey is FRRBZGDLWJCOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3O2/c1-14-22-17-12-20(31-2)21(32-3)13-18(17)24(16-10-7-11-19(26)23(16)27)28-25(22)30(29-14)15-8-5-4-6-9-15/h4-13H,1-3H3.
What are the key properties of 5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline has a molecular weight of 464.35 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline is sourced from PubChem (CID 2263257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).