2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide

C23H26FN5O4S — CID 11648797

IUPAC2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1
InChIInChI=1S/C23H26FN5O4S/c1-15-2-8-21(28-34(32,33)14-16-3-6-19(24)7-4-16)23(31)29(15)13-22(30)25-11-17-5-9-20-18(10-17)12-26-27-20/h2-4,6-8,12,17,28H,5,9-11,13-14H2,1H3,(H,25,30)(H,26,27)
InChIKeyWCLFVBTXDMPARP-UHFFFAOYSA-N
MW487.56 g/mol
LogP1.88
Rot. Bonds8

About 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide

2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide (PubChem CID 11648797) has the molecular formula C23H26FN5O4S and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide
PubChem CID11648797
Molecular FormulaC23H26FN5O4S
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1
InChIInChI=1S/C23H26FN5O4S/c1-15-2-8-21(28-34(32,33)14-16-3-6-19(24)7-4-16)23(31)29(15)13-22(30)25-11-17-5-9-20-18(10-17)12-26-27-20/h2-4,6-8,12,17,28H,5,9-11,13-14H2,1H3,(H,25,30)(H,26,27)
InChIKeyWCLFVBTXDMPARP-UHFFFAOYSA-N
XLogP1.88
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide (CID 11648797) is 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide is Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide?
The InChIKey is WCLFVBTXDMPARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S/c1-15-2-8-21(28-34(32,33)14-16-3-6-19(24)7-4-16)23(31)29(15)13-22(30)25-11-17-5-9-20-18(10-17)12-26-27-20/h2-4,6-8,12,17,28H,5,9-11,13-14H2,1H3,(H,25,30)(H,26,27).
What are the key properties of 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide?
2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide has a molecular weight of 487.56 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-ylmethyl)acetamide is sourced from PubChem (CID 11648797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).