4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol

C25H21N3O3 — CID 991249

IUPAC4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol
SMILESCOc1cc2c(-c3ccc(O)cc3)nc3c(c(C)nn3-c3ccccc3)c2cc1OC
InChIInChI=1S/C25H21N3O3/c1-15-23-19-13-21(30-2)22(31-3)14-20(19)24(16-9-11-18(29)12-10-16)26-25(23)28(27-15)17-7-5-4-6-8-17/h4-14,29H,1-3H3
InChIKeyIAPHBOSWRVYHSF-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.27
Rot. Bonds4

About 4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol

4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol (PubChem CID 991249) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol.

Molecular Properties

Compound Name4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol
PubChem CID991249
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol
SMILESCOc1cc2c(-c3ccc(O)cc3)nc3c(c(C)nn3-c3ccccc3)c2cc1OC
InChIInChI=1S/C25H21N3O3/c1-15-23-19-13-21(30-2)22(31-3)14-20(19)24(16-9-11-18(29)12-10-16)26-25(23)28(27-15)17-7-5-4-6-8-17/h4-14,29H,1-3H3
InChIKeyIAPHBOSWRVYHSF-UHFFFAOYSA-N
XLogP5.27
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ML303
CID 136141525
YM 90709
CID 1103147
5-(1,3-Benzodioxol-5-Ylmethyl)[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 68106001
6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 4890678
Pyrazolo[1,5-a]-1,3,5-triazine, 12-42
CID 42618204
2-methoxy-4-[(1E)-(2-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}hydrazin-1-ylidene)methyl]phenol
CID 90928973
4-(3-(3,4-Dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4906449
3,6-Bis(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 1968501
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3797260
5-(3,4-Dimethoxyphenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1241324
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3842722
5-Butyl-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 17863152

Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol?
The IUPAC name of 4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol (CID 991249) is 4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol.
What is the SMILES notation for 4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol?
The canonical SMILES for 4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol is COc1cc2c(-c3ccc(O)cc3)nc3c(c(C)nn3-c3ccccc3)c2cc1OC.
What is the InChIKey of 4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol?
The InChIKey is IAPHBOSWRVYHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-15-23-19-13-21(30-2)22(31-3)14-20(19)24(16-9-11-18(29)12-10-16)26-25(23)28(27-15)17-7-5-4-6-8-17/h4-14,29H,1-3H3.
What are the key properties of 4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol?
4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol has a molecular weight of 411.46 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinolin-5-yl)phenol is sourced from PubChem (CID 991249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).