N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide

C20H22N4O3S — CID 126806060

IUPACN-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide
SMILESCCS(=O)(=O)N1CCc2c(cccc2NC(=O)c2ccc3cnc(C)n3c2)C1
InChIInChI=1S/C20H22N4O3S/c1-3-28(26,27)23-10-9-18-15(12-23)5-4-6-19(18)22-20(25)16-7-8-17-11-21-14(2)24(17)13-16/h4-8,11,13H,3,9-10,12H2,1-2H3,(H,22,25)
InChIKeyIPLKLDQYMWESHL-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.60
Rot. Bonds4

About N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide

N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide (PubChem CID 126806060) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide
PubChem CID126806060
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide
SMILESCCS(=O)(=O)N1CCc2c(cccc2NC(=O)c2ccc3cnc(C)n3c2)C1
InChIInChI=1S/C20H22N4O3S/c1-3-28(26,27)23-10-9-18-15(12-23)5-4-6-19(18)22-20(25)16-7-8-17-11-21-14(2)24(17)13-16/h4-8,11,13H,3,9-10,12H2,1-2H3,(H,22,25)
InChIKeyIPLKLDQYMWESHL-UHFFFAOYSA-N
XLogP2.60
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[4,5-b]pyridine-7-carboxamide
CID 126797769
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylpentanamide
CID 167884999
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-methoxyoxane-4-carboxamide
CID 167767367
3-fluoro-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-pyrazol-1-ylbenzamide
CID 86890472
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
CID 86878423
1-[2-[[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]methyl]-1,3-thiazol-5-yl]ethanol
CID 126827061
N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-phenylmethoxybenzamide
CID 86878500
3,4,7-trimethyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-1-benzofuran-2-carboxamide
CID 86878385
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-5-sulfonyl chloride
CID 55154595
N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 146078871
N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 146085199
1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-(2-phenylbutan-2-yl)urea
CID 86899650

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide (CID 126806060) is N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide is CCS(=O)(=O)N1CCc2c(cccc2NC(=O)c2ccc3cnc(C)n3c2)C1.
What is the InChIKey of N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide?
The InChIKey is IPLKLDQYMWESHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-3-28(26,27)23-10-9-18-15(12-23)5-4-6-19(18)22-20(25)16-7-8-17-11-21-14(2)24(17)13-16/h4-8,11,13H,3,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide?
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methylimidazo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 126806060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).