1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C24H26N4O5S — CID 59020154

IUPAC1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)S(C)(=O)=O)cc2)CC3)cc1
InChIInChI=1S/C24H26N4O5S/c1-24(2,34(4,31)32)15-5-7-16(8-6-15)27-14-13-19-20(22(25)29)26-28(21(19)23(27)30)17-9-11-18(33-3)12-10-17/h5-12H,13-14H2,1-4H3,(H2,25,29)
InChIKeyOKNPLTBXZHDORP-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.46
Rot. Bonds6

About 1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 59020154) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID59020154
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)S(C)(=O)=O)cc2)CC3)cc1
InChIInChI=1S/C24H26N4O5S/c1-24(2,34(4,31)32)15-5-7-16(8-6-15)27-14-13-19-20(22(25)29)26-28(21(19)23(27)30)17-9-11-18(33-3)12-10-17/h5-12H,13-14H2,1-4H3,(H2,25,29)
InChIKeyOKNPLTBXZHDORP-UHFFFAOYSA-N
XLogP2.46
TPSA124.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 59020154) is 1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)S(C)(=O)=O)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is OKNPLTBXZHDORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-24(2,34(4,31)32)15-5-7-16(8-6-15)27-14-13-19-20(22(25)29)26-28(21(19)23(27)30)17-9-11-18(33-3)12-10-17/h5-12H,13-14H2,1-4H3,(H2,25,29).
What are the key properties of 1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 59020154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).