7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride

C20H18ClN3O2 — CID 131723052

IUPAC7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
SMILESCOc1ccc(-n2[nH]c3c(Cc4ccccc4)cncc3c2=O)cc1.Cl
InChIInChI=1S/C20H17N3O2.ClH/c1-25-17-9-7-16(8-10-17)23-20(24)18-13-21-12-15(19(18)22-23)11-14-5-3-2-4-6-14;/h2-10,12-13,22H,11H2,1H3;1H
InChIKeyVNUZIZFLAGUPBF-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.73
Rot. Bonds4

About 7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride

7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride (PubChem CID 131723052) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
PubChem CID131723052
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
SMILESCOc1ccc(-n2[nH]c3c(Cc4ccccc4)cncc3c2=O)cc1.Cl
InChIInChI=1S/C20H17N3O2.ClH/c1-25-17-9-7-16(8-10-17)23-20(24)18-13-21-12-15(19(18)22-23)11-14-5-3-2-4-6-14;/h2-10,12-13,22H,11H2,1H3;1H
InChIKeyVNUZIZFLAGUPBF-UHFFFAOYSA-N
XLogP3.73
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557
6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 46397836
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 166443268
4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one
CID 110192745
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132457
5-benzyl-3-propan-2-ylpyrimidin-4-one
CID 58170128
2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
CID 18329950
2-(4-methoxyphenyl)-4-[[2-(4-methoxyphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-phenylmethyl]-5-propyl-1H-pyrazol-3-one
CID 134695279
4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 90154058
4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
CID 4791207

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride?
The IUPAC name of 7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride (CID 131723052) is 7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride.
What is the SMILES notation for 7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride?
The canonical SMILES for 7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride is COc1ccc(-n2[nH]c3c(Cc4ccccc4)cncc3c2=O)cc1.Cl.
What is the InChIKey of 7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride?
The InChIKey is VNUZIZFLAGUPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2.ClH/c1-25-17-9-7-16(8-10-17)23-20(24)18-13-21-12-15(19(18)22-23)11-14-5-3-2-4-6-14;/h2-10,12-13,22H,11H2,1H3;1H.
What are the key properties of 7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride?
7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride has a molecular weight of 367.84 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride is sourced from PubChem (CID 131723052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).