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

C26H29N5O5S — CID 16664096

IUPAC1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4S(C)(=O)=O)CC2)CC3)cc1
InChIInChI=1S/C26H29N5O5S/c1-36-19-9-7-18(8-10-19)31-24-20(23(28-31)25(27)32)13-16-30(26(24)33)17-11-14-29(15-12-17)21-5-3-4-6-22(21)37(2,34)35/h3-10,17H,11-16H2,1-2H3,(H2,27,32)
InChIKeyPJHHSGILIGVDLH-UHFFFAOYSA-N
MW523.62 g/mol
LogP2.05
Rot. Bonds6

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

1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 16664096) has the molecular formula C26H29N5O5S and a molecular weight of 523.62 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID16664096
Molecular FormulaC26H29N5O5S
Molecular Weight523.62 g/mol
Exact Mass523.19
IUPAC Name1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4S(C)(=O)=O)CC2)CC3)cc1
InChIInChI=1S/C26H29N5O5S/c1-36-19-9-7-18(8-10-19)31-24-20(23(28-31)25(27)32)13-16-30(26(24)33)17-11-14-29(15-12-17)21-5-3-4-6-22(21)37(2,34)35/h3-10,17H,11-16H2,1-2H3,(H2,27,32)
InChIKeyPJHHSGILIGVDLH-UHFFFAOYSA-N
XLogP2.05
TPSA127.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.62
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 16664096) is 1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4S(C)(=O)=O)CC2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is PJHHSGILIGVDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5S/c1-36-19-9-7-18(8-10-19)31-24-20(23(28-31)25(27)32)13-16-30(26(24)33)17-11-14-29(15-12-17)21-5-3-4-6-22(21)37(2,34)35/h3-10,17H,11-16H2,1-2H3,(H2,27,32).
What are the key properties of 1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 523.62 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[1-(2-methylsulfonylphenyl)piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 16664096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).