N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

C18H15N5O2S — CID 167849022

IUPACN-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2n[nH]c3cc(O)ccc23)n1-c1ccccc1
InChIInChI=1S/C18H15N5O2S/c1-26-18-19-10-15(23(18)11-5-3-2-4-6-11)17(25)20-16-13-8-7-12(24)9-14(13)21-22-16/h2-10,24H,1H3,(H2,20,21,22,25)
InChIKeyAFLSJYRZYHWZEQ-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.43
Rot. Bonds4

About N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (PubChem CID 167849022) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
PubChem CID167849022
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2n[nH]c3cc(O)ccc23)n1-c1ccccc1
InChIInChI=1S/C18H15N5O2S/c1-26-18-19-10-15(23(18)11-5-3-2-4-6-11)17(25)20-16-13-8-7-12(24)9-14(13)21-22-16/h2-10,24H,1H3,(H2,20,21,22,25)
InChIKeyAFLSJYRZYHWZEQ-UHFFFAOYSA-N
XLogP3.43
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-3-phenyl-N-(1H-1,2,4-triazol-5-yl)imidazole-4-carboxamide
CID 30864717
N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide
CID 167757257
N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 30456352
3-(4-fluorophenyl)-N-(3-hydroxyphenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 78797233
N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46674108
N-(6-hydroxy-1H-indazol-3-yl)-2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxamide
CID 167982693
5-cyclopropyl-N-(6-hydroxy-1H-indazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 167861173
N-(6-hydroxy-1H-indazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 167923384
N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 30532232
3-(4-fluorophenyl)-2-methylsulfanyl-N-quinolin-3-ylimidazole-4-carboxamide
CID 55515096
N-(6-hydroxy-1H-indazol-3-yl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 167983807
2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 47110159

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (CID 167849022) is N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is CSc1ncc(C(=O)Nc2n[nH]c3cc(O)ccc23)n1-c1ccccc1.
What is the InChIKey of N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The InChIKey is AFLSJYRZYHWZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-26-18-19-10-15(23(18)11-5-3-2-4-6-11)17(25)20-16-13-8-7-12(24)9-14(13)21-22-16/h2-10,24H,1H3,(H2,20,21,22,25).
What are the key properties of N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-1H-indazol-3-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 167849022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).