2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline

C16H17N5 — CID 125420736

IUPAC2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1nn(C)c2c(N3CCc4ccccc4C3)nncc12
InChIInChI=1S/C16H17N5/c1-11-14-9-17-18-16(15(14)20(2)19-11)21-8-7-12-5-3-4-6-13(12)10-21/h3-6,9H,7-8,10H2,1-2H3
InChIKeySDJNXQNMASIRDT-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.23
Rot. Bonds1

About 2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline

2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 125420736) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID125420736
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1nn(C)c2c(N3CCc4ccccc4C3)nncc12
InChIInChI=1S/C16H17N5/c1-11-14-9-17-18-16(15(14)20(2)19-11)21-8-7-12-5-3-4-6-13(12)10-21/h3-6,9H,7-8,10H2,1-2H3
InChIKeySDJNXQNMASIRDT-UHFFFAOYSA-N
XLogP2.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclopropylmethyl)-2,3-dimethylpyrrolo[2,3-d]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683137
5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 28952095
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridin-3-amine
CID 62476681
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine
CID 112953116
2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 87285407
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-5-amine
CID 112953258
2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 150332027
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2H-triazole-4-carboxylic acid
CID 155250683
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5,6-trimethyl-N-phenylpyrimidin-2-amine
CID 54089583
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80767136

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline (CID 125420736) is 2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline is Cc1nn(C)c2c(N3CCc4ccccc4C3)nncc12.
What is the InChIKey of 2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is SDJNXQNMASIRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-14-9-17-18-16(15(14)20(2)19-11)21-8-7-12-5-3-4-6-13(12)10-21/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline?
2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 279.35 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazolo[3,4-d]pyridazin-7-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 125420736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).