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

C24H28N6O3 — CID 118535809

IUPAC1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCOc1ccc(-n2nc(C#N)c3c2C(=O)N(C2CCN(N4CCCCC4=O)CC2)CC3)cc1
InChIInChI=1S/C24H28N6O3/c1-33-19-7-5-18(6-8-19)30-23-20(21(16-25)26-30)11-15-28(24(23)32)17-9-13-27(14-10-17)29-12-3-2-4-22(29)31/h5-8,17H,2-4,9-15H2,1H3
InChIKeyITIOYIRDUNQHQA-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.14
Rot. Bonds4

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

1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile (PubChem CID 118535809) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
PubChem CID118535809
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCOc1ccc(-n2nc(C#N)c3c2C(=O)N(C2CCN(N4CCCCC4=O)CC2)CC3)cc1
InChIInChI=1S/C24H28N6O3/c1-33-19-7-5-18(6-8-19)30-23-20(21(16-25)26-30)11-15-28(24(23)32)17-9-13-27(14-10-17)29-12-3-2-4-22(29)31/h5-8,17H,2-4,9-15H2,1H3
InChIKeyITIOYIRDUNQHQA-UHFFFAOYSA-N
XLogP2.14
TPSA94.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile (CID 118535809) is 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile is COc1ccc(-n2nc(C#N)c3c2C(=O)N(C2CCN(N4CCCCC4=O)CC2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The InChIKey is ITIOYIRDUNQHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-33-19-7-5-18(6-8-19)30-23-20(21(16-25)26-30)11-15-28(24(23)32)17-9-13-27(14-10-17)29-12-3-2-4-22(29)31/h5-8,17H,2-4,9-15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile?
1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile has a molecular weight of 448.53 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-oxopiperidin-1-yl)piperidin-4-yl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile is sourced from PubChem (CID 118535809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).