1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one

C24H23N5O3S — CID 122186077

IUPAC1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
SMILESCS(=O)(=O)c1cccc(Cn2ccc(N3CCc4[nH]nc(-c5ccncc5)c4C3)cc2=O)c1
InChIInChI=1S/C24H23N5O3S/c1-33(31,32)20-4-2-3-17(13-20)15-29-11-7-19(14-23(29)30)28-12-8-22-21(16-28)24(27-26-22)18-5-9-25-10-6-18/h2-7,9-11,13-14H,8,12,15-16H2,1H3,(H,26,27)
InChIKeyXTRPZEAUHBQOQA-UHFFFAOYSA-N
MW461.55 g/mol
LogP2.65
Rot. Bonds5

About 1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one

1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one (PubChem CID 122186077) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
PubChem CID122186077
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
SMILESCS(=O)(=O)c1cccc(Cn2ccc(N3CCc4[nH]nc(-c5ccncc5)c4C3)cc2=O)c1
InChIInChI=1S/C24H23N5O3S/c1-33(31,32)20-4-2-3-17(13-20)15-29-11-7-19(14-23(29)30)28-12-8-22-21(16-28)24(27-26-22)18-5-9-25-10-6-18/h2-7,9-11,13-14H,8,12,15-16H2,1H3,(H,26,27)
InChIKeyXTRPZEAUHBQOQA-UHFFFAOYSA-N
XLogP2.65
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
The IUPAC name of 1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one (CID 122186077) is 1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one.
What is the SMILES notation for 1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
The canonical SMILES for 1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one is CS(=O)(=O)c1cccc(Cn2ccc(N3CCc4[nH]nc(-c5ccncc5)c4C3)cc2=O)c1.
What is the InChIKey of 1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
The InChIKey is XTRPZEAUHBQOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-33(31,32)20-4-2-3-17(13-20)15-29-11-7-19(14-23(29)30)28-12-8-22-21(16-28)24(27-26-22)18-5-9-25-10-6-18/h2-7,9-11,13-14H,8,12,15-16H2,1H3,(H,26,27).
What are the key properties of 1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one has a molecular weight of 461.55 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylsulfonylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one is sourced from PubChem (CID 122186077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).