6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine

C21H20N6 — CID 68995611

IUPAC6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
SMILESCN1Cc2cc(-c3ccc(N)nn3)ccc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C21H20N6/c1-27-11-16-8-14(19-6-7-21(22)26-25-19)4-5-17(16)18(12-27)13-2-3-15-10-23-24-20(15)9-13/h2-10,18H,11-12H2,1H3,(H2,22,26)(H,23,24)
InChIKeyFIBYIGSURHXUDR-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.18
Rot. Bonds2

About 6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine

6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine (PubChem CID 68995611) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
PubChem CID68995611
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
SMILESCN1Cc2cc(-c3ccc(N)nn3)ccc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C21H20N6/c1-27-11-16-8-14(19-6-7-21(22)26-25-19)4-5-17(16)18(12-27)13-2-3-15-10-23-24-20(15)9-13/h2-10,18H,11-12H2,1H3,(H2,22,26)(H,23,24)
InChIKeyFIBYIGSURHXUDR-UHFFFAOYSA-N
XLogP3.18
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine?
The IUPAC name of 6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine (CID 68995611) is 6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine?
The canonical SMILES for 6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine is CN1Cc2cc(-c3ccc(N)nn3)ccc2C(c2ccc3cn[nH]c3c2)C1.
What is the InChIKey of 6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine?
The InChIKey is FIBYIGSURHXUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-27-11-16-8-14(19-6-7-21(22)26-25-19)4-5-17(16)18(12-27)13-2-3-15-10-23-24-20(15)9-13/h2-10,18H,11-12H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine?
6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine has a molecular weight of 356.43 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine is sourced from PubChem (CID 68995611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).