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

C21H20N8O3 — CID 46911072

IUPAC4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C21H20N8O3/c1-12-7-23-18(10-22-12)26-20(30)13-5-16-15(11-29(4)27-16)17(6-13)32-14-8-24-19(25-9-14)21(31)28(2)3/h5-11H,1-4H3,(H,23,26,30)
InChIKeyWSAQOXUHJXNXTA-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.21
Rot. Bonds5

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

4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (PubChem CID 46911072) has the molecular formula C21H20N8O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
PubChem CID46911072
Molecular FormulaC21H20N8O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C21H20N8O3/c1-12-7-23-18(10-22-12)26-20(30)13-5-16-15(11-29(4)27-16)17(6-13)32-14-8-24-19(25-9-14)21(31)28(2)3/h5-11H,1-4H3,(H,23,26,30)
InChIKeyWSAQOXUHJXNXTA-UHFFFAOYSA-N
XLogP2.21
TPSA128.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The IUPAC name of 4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (CID 46911072) is 4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.
What is the SMILES notation for 4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The canonical SMILES for 4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cn(C)nc3c2)cn1.
What is the InChIKey of 4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The InChIKey is WSAQOXUHJXNXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O3/c1-12-7-23-18(10-22-12)26-20(30)13-5-16-15(11-29(4)27-16)17(6-13)32-14-8-24-19(25-9-14)21(31)28(2)3/h5-11H,1-4H3,(H,23,26,30).
What are the key properties of 4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is sourced from PubChem (CID 46911072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).