2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C26H22N4O — CID 68995845

IUPAC2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN1Cc2cc(-n3nc4ccccn4c3=O)ccc2C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C26H22N4O/c1-28-16-21-15-22(30-26(31)29-13-5-4-8-25(29)27-30)11-12-23(21)24(17-28)20-10-9-18-6-2-3-7-19(18)14-20/h2-15,24H,16-17H2,1H3
InChIKeyNHRKFDPRNOMDKM-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.22
Rot. Bonds2

About 2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 68995845) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID68995845
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN1Cc2cc(-n3nc4ccccn4c3=O)ccc2C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C26H22N4O/c1-28-16-21-15-22(30-26(31)29-13-5-4-8-25(29)27-30)11-12-23(21)24(17-28)20-10-9-18-6-2-3-7-19(18)14-20/h2-15,24H,16-17H2,1H3
InChIKeyNHRKFDPRNOMDKM-UHFFFAOYSA-N
XLogP4.22
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 68997337
2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68996731
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995347
(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl) trifluoromethanesulfonate
CID 87201660
(Z)-but-2-enedioic acid;2,7-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 131727463
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68996070
2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68993738
2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 24721482
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
CID 129385280
7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol
CID 159778265
4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995503

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 68995845) is 2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN1Cc2cc(-n3nc4ccccn4c3=O)ccc2C(c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is NHRKFDPRNOMDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-28-16-21-15-22(30-26(31)29-13-5-4-8-25(29)27-30)11-12-23(21)24(17-28)20-10-9-18-6-2-3-7-19(18)14-20/h2-15,24H,16-17H2,1H3.
What are the key properties of 2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 406.49 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 68995845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).