1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide

C23H19N7O2 — CID 86901378

IUPAC1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-n3c(C)c[nH]c3=O)c2)nnn1-c1cccc2cnccc12
InChIInChI=1S/C23H19N7O2/c1-14-12-25-23(32)29(14)18-7-4-6-17(11-18)26-22(31)21-15(2)30(28-27-21)20-8-3-5-16-13-24-10-9-19(16)20/h3-13H,1-2H3,(H,25,32)(H,26,31)
InChIKeySKXIICDUAFVZRI-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.16
Rot. Bonds4

About 1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide

1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide (PubChem CID 86901378) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
PubChem CID86901378
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Name1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-n3c(C)c[nH]c3=O)c2)nnn1-c1cccc2cnccc12
InChIInChI=1S/C23H19N7O2/c1-14-12-25-23(32)29(14)18-7-4-6-17(11-18)26-22(31)21-15(2)30(28-27-21)20-8-3-5-16-13-24-10-9-19(16)20/h3-13H,1-2H3,(H,25,32)(H,26,31)
InChIKeySKXIICDUAFVZRI-UHFFFAOYSA-N
XLogP3.16
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide with MolForge

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Related Compounds

1-(2-chlorophenyl)-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
CID 86888977
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1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119427242
(2S)-2-[(1-isoquinolin-5-yl-5-methyltriazole-4-carbonyl)amino]-3-methylbutanoic acid
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CID 119447508
1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide
CID 120554698
2-[1-[(1-isoquinolin-5-yl-5-methyltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120522017
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CID 166221784
N-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)-1-isoquinolin-5-yl-5-methyltriazole-4-carboxamide
CID 167942714
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone
CID 166202199
1,4-diazepan-1-yl-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone;dihydrochloride
CID 119416900
1-isoquinolin-5-yl-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-5-methyltriazole-4-carboxamide
CID 96539581

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide (CID 86901378) is 1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(-n3c(C)c[nH]c3=O)c2)nnn1-c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide?
The InChIKey is SKXIICDUAFVZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-14-12-25-23(32)29(14)18-7-4-6-17(11-18)26-22(31)21-15(2)30(28-27-21)20-8-3-5-16-13-24-10-9-19(16)20/h3-13H,1-2H3,(H,25,32)(H,26,31).
What are the key properties of 1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide?
1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 86901378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).