1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C19H15ClIN3O — CID 20816139

IUPAC1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCc1nn(-c2ccc(Cl)cc2)c2c1CCN(c1ccc(I)cc1)C2=O
InChIInChI=1S/C19H15ClIN3O/c1-12-17-10-11-23(15-8-4-14(21)5-9-15)19(25)18(17)24(22-12)16-6-2-13(20)3-7-16/h2-9H,10-11H2,1H3
InChIKeyWBLLVKLIALLOMO-UHFFFAOYSA-N
MW463.71 g/mol
LogP4.64
Rot. Bonds2

About 1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 20816139) has the molecular formula C19H15ClIN3O and a molecular weight of 463.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID20816139
Molecular FormulaC19H15ClIN3O
Molecular Weight463.71 g/mol
Exact Mass462.99
IUPAC Name1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCc1nn(-c2ccc(Cl)cc2)c2c1CCN(c1ccc(I)cc1)C2=O
InChIInChI=1S/C19H15ClIN3O/c1-12-17-10-11-23(15-8-4-14(21)5-9-15)19(25)18(17)24(22-12)16-6-2-13(20)3-7-16/h2-9H,10-11H2,1H3
InChIKeyWBLLVKLIALLOMO-UHFFFAOYSA-N
XLogP4.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.71
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(4-methylphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 20816142
6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59016559
3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 59016561
tert-butyl N-[6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]carbamate
CID 23635504
3-[6-(4-iodophenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzonitrile
CID 22240469
N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide
CID 134463049
2-[6-(4-iodophenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzenesulfonamide
CID 58630087
methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate
CID 20872249
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087094
ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11566693
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131
5-[3-(4-iodophenyl)-4-oxo-6,7-dihydrotriazolo[4,5-c]pyridin-5-yl]-2-methylbenzonitrile
CID 23398316

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 20816139) is 1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is Cc1nn(-c2ccc(Cl)cc2)c2c1CCN(c1ccc(I)cc1)C2=O.
What is the InChIKey of 1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is WBLLVKLIALLOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClIN3O/c1-12-17-10-11-23(15-8-4-14(21)5-9-15)19(25)18(17)24(22-12)16-6-2-13(20)3-7-16/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 463.71 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 20816139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).