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

C23H20N6O — CID 68997337

IUPAC2-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN1Cc2cc(-n3nc4ccccn4c3=O)ccc2C(c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C23H20N6O/c1-27-13-17-11-18(29-23(30)28-9-3-2-4-22(28)26-29)6-7-19(17)20(14-27)15-5-8-21-16(10-15)12-24-25-21/h2-12,20H,13-14H2,1H3,(H,24,25)
InChIKeyGDNVETYNTPRAII-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.94
Rot. Bonds2

About 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

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 (PubChem CID 68997337) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID68997337
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name2-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN1Cc2cc(-n3nc4ccccn4c3=O)ccc2C(c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C23H20N6O/c1-27-13-17-11-18(29-23(30)28-9-3-2-4-22(28)26-29)6-7-19(17)20(14-27)15-5-8-21-16(10-15)12-24-25-21/h2-12,20H,13-14H2,1H3,(H,24,25)
InChIKeyGDNVETYNTPRAII-UHFFFAOYSA-N
XLogP2.94
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline
CID 68998697
4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 68994309
7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68996534
4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 68994721
4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68997660
6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
CID 68995611
2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 24721482
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
CID 129385280
7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline
CID 68998146
4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
CID 68997934

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1Cc2cc(-n3nc4ccccn4c3=O)ccc2C(c2ccc3[nH]ncc3c2)C1.
What is the InChIKey of 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?
The InChIKey is GDNVETYNTPRAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-27-13-17-11-18(29-23(30)28-9-3-2-4-22(28)26-29)6-7-19(17)20(14-27)15-5-8-21-16(10-15)12-24-25-21/h2-12,20H,13-14H2,1H3,(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 396.45 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 68997337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).