2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide

C23H23N5O4S — CID 10139788

IUPAC2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ncc2c1
InChIInChI=1S/C23H23N5O4S/c1-16-7-9-21(27-33(31,32)15-17-5-3-2-4-6-17)23(30)28(16)14-22(29)24-12-18-8-10-20-19(11-18)13-25-26-20/h2-11,13,27H,12,14-15H2,1H3,(H,24,29)(H,25,26)
InChIKeyOTWIMDQGKSIAIJ-UHFFFAOYSA-N
MW465.54 g/mol
LogP2.29
Rot. Bonds8

About 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide

2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide (PubChem CID 10139788) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide
PubChem CID10139788
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC Name2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ncc2c1
InChIInChI=1S/C23H23N5O4S/c1-16-7-9-21(27-33(31,32)15-17-5-3-2-4-6-17)23(30)28(16)14-22(29)24-12-18-8-10-20-19(11-18)13-25-26-20/h2-11,13,27H,12,14-15H2,1H3,(H,24,29)(H,25,26)
InChIKeyOTWIMDQGKSIAIJ-UHFFFAOYSA-N
XLogP2.29
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-Methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-N-(4,5,6,7-tetrahydro-2H-indazol-5-ylmethyl)-acetamide
CID 9804727
2-[3-(2-Chloro-4-fluoro-phenylmethanesulfonylamino)-6-methyl-2-oxo-2H-pyridin-1-yl]-N-(4,5,6,7-tetrahydro-2H-indazol-5-ylmethyl)-acetamide
CID 10289409
2-[3-(4-Fluoro-phenylmethanesulfonylamino)-6-methyl-2-oxo-2H-pyridin-1-yl]-N-(4,5,6,7-tetrahydro-2H-indazol-5-ylmethyl)-acetamide
CID 11648797
2-(6-Methyl-2-oxo-3-p-tolylmethanesulfonylamino-2H-pyridin-1-yl)-N-(4,5,6,7-tetrahydro-2H-indazol-5-ylmethyl)-acetamide
CID 44339404
2-[6-Methyl-2-oxo-3-(3-trifluoromethyl-phenylmethanesulfonylamino)-2H-pyridin-1-yl]-N-(4,5,6,7-tetrahydro-2H-indazol-5-ylmethyl)-acetamide
CID 44339650
2-(6-Methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-N-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-acetamide
CID 9981449
N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 23551908
N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide
CID 155387744
N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 10158859
N-[(3-amino-1H-indazol-5-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 10227660
2-(6-Methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-2H-indazol-5-ylmethyl)-acetamide
CID 44337785
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide
CID 66610384

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide?
The IUPAC name of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide (CID 10139788) is 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide?
The InChIKey is OTWIMDQGKSIAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-16-7-9-21(27-33(31,32)15-17-5-3-2-4-6-17)23(30)28(16)14-22(29)24-12-18-8-10-20-19(11-18)13-25-26-20/h2-11,13,27H,12,14-15H2,1H3,(H,24,29)(H,25,26).
What are the key properties of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide?
2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide has a molecular weight of 465.54 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-indazol-5-ylmethyl)acetamide is sourced from PubChem (CID 10139788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).