1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide

C23H22N6O — CID 166221784

IUPAC1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc3c(c2)CCN3C)nnn1-c1cccc2cnccc12
InChIInChI=1S/C23H22N6O/c1-15-22(23(30)25-13-16-6-7-20-17(12-16)9-11-28(20)2)26-27-29(15)21-5-3-4-18-14-24-10-8-19(18)21/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,25,30)
InChIKeySELZCLWPXTYCEL-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.05
Rot. Bonds4

About 1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide

1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide (PubChem CID 166221784) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide
PubChem CID166221784
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc3c(c2)CCN3C)nnn1-c1cccc2cnccc12
InChIInChI=1S/C23H22N6O/c1-15-22(23(30)25-13-16-6-7-20-17(12-16)9-11-28(20)2)26-27-29(15)21-5-3-4-18-14-24-10-8-19(18)21/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,25,30)
InChIKeySELZCLWPXTYCEL-UHFFFAOYSA-N
XLogP3.05
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide with MolForge

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Related Compounds

1-isoquinolin-5-yl-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;dihydrochloride
CID 119447508
2-[1-[(1-isoquinolin-5-yl-5-methyltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120522017
(2S)-2-[(1-isoquinolin-5-yl-5-methyltriazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 119359362
N-[(3,4-difluorophenyl)methyl]-1-isoquinolin-5-yl-N,5-dimethyltriazole-4-carboxamide
CID 98914373
1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119427242
1-isoquinolin-5-yl-N-[[(1S,2R)-2-(methanesulfonamido)cyclopentyl]methyl]-5-methyltriazole-4-carboxamide
CID 96539581
1-isoquinolin-5-yl-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
CID 86901378
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
N-(1,3-dimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)-1-isoquinolin-5-yl-5-methyltriazole-4-carboxamide
CID 167942714
1-isoquinolin-5-yl-5-methyl-N-(3-methylpiperidin-4-yl)triazole-4-carboxamide
CID 120554698
N-(3-hydroxybutyl)-1-isoquinolin-5-yl-N,5-dimethyltriazole-4-carboxamide
CID 111695865
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone
CID 166202199

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide (CID 166221784) is 1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide is Cc1c(C(=O)NCc2ccc3c(c2)CCN3C)nnn1-c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide?
The InChIKey is SELZCLWPXTYCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-15-22(23(30)25-13-16-6-7-20-17(12-16)9-11-28(20)2)26-27-29(15)21-5-3-4-18-14-24-10-8-19(18)21/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,25,30).
What are the key properties of 1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide?
1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 166221784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).