5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine

C27H27N7O — CID 171090125

IUPAC5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine
SMILESCc1cc2c(N)nccc2c(C)c1CNc1cc(OCc2ccc(Cn3cccn3)cc2)cnn1
InChIInChI=1S/C27H27N7O/c1-18-12-24-23(8-10-29-27(24)28)19(2)25(18)15-30-26-13-22(14-31-33-26)35-17-21-6-4-20(5-7-21)16-34-11-3-9-32-34/h3-14H,15-17H2,1-2H3,(H2,28,29)(H,30,33)
InChIKeyNEDUUNSPXKRXPD-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.66
Rot. Bonds8

About 5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine

5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine (PubChem CID 171090125) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine
PubChem CID171090125
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine
SMILESCc1cc2c(N)nccc2c(C)c1CNc1cc(OCc2ccc(Cn3cccn3)cc2)cnn1
InChIInChI=1S/C27H27N7O/c1-18-12-24-23(8-10-29-27(24)28)19(2)25(18)15-30-26-13-22(14-31-33-26)35-17-21-6-4-20(5-7-21)16-34-11-3-9-32-34/h3-14H,15-17H2,1-2H3,(H2,28,29)(H,30,33)
InChIKeyNEDUUNSPXKRXPD-UHFFFAOYSA-N
XLogP4.66
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine with MolForge

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Related Compounds

3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine
CID 171089884
5,7-dimethyl-6-[[[6-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine
CID 171090396
1-[[4-[[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyridazin-4-yl]amino]methyl]phenyl]methyl]pyridin-2-one
CID 177306535
1-[[4-[[2-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]oxymethyl]phenyl]methyl]pyridin-2-one
CID 171090667
N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine
CID 172773915
1-[[4-[[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]amino]methyl]phenyl]methyl]pyridin-2-one
CID 171090161
ethane;ethyl N-[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]carbamate
CID 171090590
3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine
CID 171090290
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]methyl]pyrazole-4-carboxamide
CID 171089908
4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-3-ylmethyl)pyrimidine-4,6-diamine
CID 171090226
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 171089743
1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine
CID 165134114

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine?
The IUPAC name of 5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine (CID 171090125) is 5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine.
What is the SMILES notation for 5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine?
The canonical SMILES for 5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine is Cc1cc2c(N)nccc2c(C)c1CNc1cc(OCc2ccc(Cn3cccn3)cc2)cnn1.
What is the InChIKey of 5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine?
The InChIKey is NEDUUNSPXKRXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-18-12-24-23(8-10-29-27(24)28)19(2)25(18)15-30-26-13-22(14-31-33-26)35-17-21-6-4-20(5-7-21)16-34-11-3-9-32-34/h3-14H,15-17H2,1-2H3,(H2,28,29)(H,30,33).
What are the key properties of 5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine?
5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine has a molecular weight of 465.56 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine is sourced from PubChem (CID 171090125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).