1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea

C19H21N7O — CID 167793464

IUPAC1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea
SMILESCN1Cc2ccccc2C(NC(=O)Nc2ccc(-c3cnn(C)c3)nn2)C1
InChIInChI=1S/C19H21N7O/c1-25-10-13-5-3-4-6-15(13)17(12-25)21-19(27)22-18-8-7-16(23-24-18)14-9-20-26(2)11-14/h3-9,11,17H,10,12H2,1-2H3,(H2,21,22,24,27)
InChIKeyWALAYTHQKUQKMV-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.19
Rot. Bonds3

About 1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea

1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea (PubChem CID 167793464) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea
PubChem CID167793464
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea
SMILESCN1Cc2ccccc2C(NC(=O)Nc2ccc(-c3cnn(C)c3)nn2)C1
InChIInChI=1S/C19H21N7O/c1-25-10-13-5-3-4-6-15(13)17(12-25)21-19(27)22-18-8-7-16(23-24-18)14-9-20-26(2)11-14/h3-9,11,17H,10,12H2,1-2H3,(H2,21,22,24,27)
InChIKeyWALAYTHQKUQKMV-UHFFFAOYSA-N
XLogP2.19
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea?
The IUPAC name of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea (CID 167793464) is 1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea.
What is the SMILES notation for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea?
The canonical SMILES for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea is CN1Cc2ccccc2C(NC(=O)Nc2ccc(-c3cnn(C)c3)nn2)C1.
What is the InChIKey of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea?
The InChIKey is WALAYTHQKUQKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-25-10-13-5-3-4-6-15(13)17(12-25)21-19(27)22-18-8-7-16(23-24-18)14-9-20-26(2)11-14/h3-9,11,17H,10,12H2,1-2H3,(H2,21,22,24,27).
What are the key properties of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea?
1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea has a molecular weight of 363.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]urea is sourced from PubChem (CID 167793464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).