6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride

C17H21ClN4O — CID 120849479

IUPAC6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
SMILESCl.Cn1nc2c(cc1=O)CN(Cc1cccc3c1NCC3)CC2
InChIInChI=1S/C17H20N4O.ClH/c1-20-16(22)9-14-11-21(8-6-15(14)19-20)10-13-4-2-3-12-5-7-18-17(12)13;/h2-4,9,18H,5-8,10-11H2,1H3;1H
InChIKeyCDUMIUTUOWHZDI-UHFFFAOYSA-N
MW332.83 g/mol
LogP1.73
Rot. Bonds2

About 6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride

6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride (PubChem CID 120849479) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
PubChem CID120849479
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
SMILESCl.Cn1nc2c(cc1=O)CN(Cc1cccc3c1NCC3)CC2
InChIInChI=1S/C17H20N4O.ClH/c1-20-16(22)9-14-11-21(8-6-15(14)19-20)10-13-4-2-3-12-5-7-18-17(12)13;/h2-4,9,18H,5-8,10-11H2,1H3;1H
InChIKeyCDUMIUTUOWHZDI-UHFFFAOYSA-N
XLogP1.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride with MolForge

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Related Compounds

6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 120849480
4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride
CID 120855200
4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride
CID 120849423
2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile
CID 167862713
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 120855599
methyl 3-[(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)methyl]thiophene-2-carboxylate
CID 71971937
7-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole;hydrochloride
CID 120847704
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
3-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)imidazolidin-4-one;hydrochloride
CID 120854907
6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 126791482

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride?
The IUPAC name of 6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride (CID 120849479) is 6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride.
What is the SMILES notation for 6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride?
The canonical SMILES for 6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride is Cl.Cn1nc2c(cc1=O)CN(Cc1cccc3c1NCC3)CC2.
What is the InChIKey of 6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride?
The InChIKey is CDUMIUTUOWHZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.ClH/c1-20-16(22)9-14-11-21(8-6-15(14)19-20)10-13-4-2-3-12-5-7-18-17(12)13;/h2-4,9,18H,5-8,10-11H2,1H3;1H.
What are the key properties of 6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride?
6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride is sourced from PubChem (CID 120849479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).