5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide

C17H16N6OS — CID 139431432

IUPAC5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
SMILESCc1ncc(NC(=O)c2n[nH]c3ccc(-c4cnc(C)n4C)cc23)s1
InChIInChI=1S/C17H16N6OS/c1-9-18-7-14(23(9)3)11-4-5-13-12(6-11)16(22-21-13)17(24)20-15-8-19-10(2)25-15/h4-8H,1-3H3,(H,20,24)(H,21,22)
InChIKeyQATFVFAMADWCBK-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.29
Rot. Bonds3

About 5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide

5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide (PubChem CID 139431432) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
PubChem CID139431432
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
SMILESCc1ncc(NC(=O)c2n[nH]c3ccc(-c4cnc(C)n4C)cc23)s1
InChIInChI=1S/C17H16N6OS/c1-9-18-7-14(23(9)3)11-4-5-13-12(6-11)16(22-21-13)17(24)20-15-8-19-10(2)25-15/h4-8H,1-3H3,(H,20,24)(H,21,22)
InChIKeyQATFVFAMADWCBK-UHFFFAOYSA-N
XLogP3.29
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide (CID 139431432) is 5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide is Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cnc(C)n4C)cc23)s1.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
The InChIKey is QATFVFAMADWCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-9-18-7-14(23(9)3)11-4-5-13-12(6-11)16(22-21-13)17(24)20-15-8-19-10(2)25-15/h4-8H,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).