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

C23H22N6O3 — CID 71454075

IUPAC4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)cc3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C23H22N6O3/c1-14-11-25-21(12-24-14)26-22(30)16-9-19-18(13-29(4)27-19)20(10-16)32-17-7-5-15(6-8-17)23(31)28(2)3/h5-13H,1-4H3,(H,25,26,30)
InChIKeyVFNOJEBCZRXYMG-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.42
Rot. Bonds5

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

4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (PubChem CID 71454075) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
PubChem CID71454075
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)cc3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C23H22N6O3/c1-14-11-25-21(12-24-14)26-22(30)16-9-19-18(13-29(4)27-19)20(10-16)32-17-7-5-15(6-8-17)23(31)28(2)3/h5-13H,1-4H3,(H,25,26,30)
InChIKeyVFNOJEBCZRXYMG-UHFFFAOYSA-N
XLogP3.42
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The IUPAC name of 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (CID 71454075) is 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.
What is the SMILES notation for 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The canonical SMILES for 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)cc3)c3cn(C)nc3c2)cn1.
What is the InChIKey of 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The InChIKey is VFNOJEBCZRXYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-14-11-25-21(12-24-14)26-22(30)16-9-19-18(13-29(4)27-19)20(10-16)32-17-7-5-15(6-8-17)23(31)28(2)3/h5-13H,1-4H3,(H,25,26,30).
What are the key properties of 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylcarbamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is sourced from PubChem (CID 71454075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).