4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide

C22H20FN7O3 — CID 46911180

IUPAC4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)c(F)c3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C22H20FN7O3/c1-12-8-25-19(10-24-12)27-21(31)13-5-17-15(11-30(4)28-17)18(6-13)33-14-7-16(23)20(26-9-14)22(32)29(2)3/h5-11H,1-4H3,(H,25,27,31)
InChIKeyZGSFQZZAENVCIS-UHFFFAOYSA-N
MW449.45 g/mol
LogP2.95
Rot. Bonds5

About 4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide

4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (PubChem CID 46911180) has the molecular formula C22H20FN7O3 and a molecular weight of 449.45 g/mol. Its IUPAC name is 4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.

Molecular Properties

Compound Name4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
PubChem CID46911180
Molecular FormulaC22H20FN7O3
Molecular Weight449.45 g/mol
Exact Mass449.16
IUPAC Name4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)c(F)c3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C22H20FN7O3/c1-12-8-25-19(10-24-12)27-21(31)13-5-17-15(11-30(4)28-17)18(6-13)33-14-7-16(23)20(26-9-14)22(32)29(2)3/h5-11H,1-4H3,(H,25,27,31)
InChIKeyZGSFQZZAENVCIS-UHFFFAOYSA-N
XLogP2.95
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The IUPAC name of 4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (CID 46911180) is 4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.
What is the SMILES notation for 4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The canonical SMILES for 4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)c(F)c3)c3cn(C)nc3c2)cn1.
What is the InChIKey of 4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The InChIKey is ZGSFQZZAENVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O3/c1-12-8-25-19(10-24-12)27-21(31)13-5-17-15(11-30(4)28-17)18(6-13)33-14-7-16(23)20(26-9-14)22(32)29(2)3/h5-11H,1-4H3,(H,25,27,31).
What are the key properties of 4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide has a molecular weight of 449.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(dimethylcarbamoyl)-5-fluoro-3-pyridinyl]oxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is sourced from PubChem (CID 46911180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).