5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide

C19H21FN4O4S — CID 155524061

IUPAC5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide
SMILESCC(C)COc1ccc(-c2nn(C)c3cc(C(=O)NS(C)(=O)=O)c(F)cc23)cn1
InChIInChI=1S/C19H21FN4O4S/c1-11(2)10-28-17-6-5-12(9-21-17)18-14-7-15(20)13(8-16(14)24(3)22-18)19(25)23-29(4,26)27/h5-9,11H,10H2,1-4H3,(H,23,25)
InChIKeyQRIOFRCLJAONBX-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.50
Rot. Bonds6

About 5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide

5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide (PubChem CID 155524061) has the molecular formula C19H21FN4O4S and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide
PubChem CID155524061
Molecular FormulaC19H21FN4O4S
Molecular Weight420.47 g/mol
Exact Mass420.13
IUPAC Name5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide
SMILESCC(C)COc1ccc(-c2nn(C)c3cc(C(=O)NS(C)(=O)=O)c(F)cc23)cn1
InChIInChI=1S/C19H21FN4O4S/c1-11(2)10-28-17-6-5-12(9-21-17)18-14-7-15(20)13(8-16(14)24(3)22-18)19(25)23-29(4,26)27/h5-9,11H,10H2,1-4H3,(H,23,25)
InChIKeyQRIOFRCLJAONBX-UHFFFAOYSA-N
XLogP2.50
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide (CID 155524061) is 5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide is CC(C)COc1ccc(-c2nn(C)c3cc(C(=O)NS(C)(=O)=O)c(F)cc23)cn1.
What is the InChIKey of 5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide?
The InChIKey is QRIOFRCLJAONBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4S/c1-11(2)10-28-17-6-5-12(9-21-17)18-14-7-15(20)13(8-16(14)24(3)22-18)19(25)23-29(4,26)27/h5-9,11H,10H2,1-4H3,(H,23,25).
What are the key properties of 5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide?
5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide is sourced from PubChem (CID 155524061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).