4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline

C22H21N5 — CID 68997660

IUPAC4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(-c2ccc3c(c2)CN(C)CC3c2ccc3cn[nH]c3c2)nn1
InChIInChI=1S/C22H21N5/c1-14-3-8-21(26-24-14)16-6-7-19-18(9-16)12-27(2)13-20(19)15-4-5-17-11-23-25-22(17)10-15/h3-11,20H,12-13H2,1-2H3,(H,23,25)
InChIKeyBUUFAPTZLPQVNR-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.91
Rot. Bonds2

About 4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline

4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 68997660) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID68997660
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(-c2ccc3c(c2)CN(C)CC3c2ccc3cn[nH]c3c2)nn1
InChIInChI=1S/C22H21N5/c1-14-3-8-21(26-24-14)16-6-7-19-18(9-16)12-27(2)13-20(19)15-4-5-17-11-23-25-22(17)10-15/h3-11,20H,12-13H2,1-2H3,(H,23,25)
InChIKeyBUUFAPTZLPQVNR-UHFFFAOYSA-N
XLogP3.91
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline 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 4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline (CID 68997660) is 4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline is Cc1ccc(-c2ccc3c(c2)CN(C)CC3c2ccc3cn[nH]c3c2)nn1.
What is the InChIKey of 4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is BUUFAPTZLPQVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-14-3-8-21(26-24-14)16-6-7-19-18(9-16)12-27(2)13-20(19)15-4-5-17-11-23-25-22(17)10-15/h3-11,20H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline?
4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 355.45 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68997660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).