3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine

C27H28N8 — CID 171089884

IUPAC3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine
SMILESCc1cc2c(N)nccc2c(C)c1CNc1cc(NCc2ccc(Cn3cccn3)cc2)cnn1
InChIInChI=1S/C27H28N8/c1-18-12-24-23(8-10-29-27(24)28)19(2)25(18)16-31-26-13-22(15-32-34-26)30-14-20-4-6-21(7-5-20)17-35-11-3-9-33-35/h3-13,15H,14,16-17H2,1-2H3,(H2,28,29)(H2,30,31,34)
InChIKeyUAFVOYUOHQQDFW-UHFFFAOYSA-N
MW464.58 g/mol
LogP4.69
Rot. Bonds8

About 3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine

3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine (PubChem CID 171089884) has the molecular formula C27H28N8 and a molecular weight of 464.58 g/mol. Its IUPAC name is 3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine
PubChem CID171089884
Molecular FormulaC27H28N8
Molecular Weight464.58 g/mol
Exact Mass464.24
IUPAC Name3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine
SMILESCc1cc2c(N)nccc2c(C)c1CNc1cc(NCc2ccc(Cn3cccn3)cc2)cnn1
InChIInChI=1S/C27H28N8/c1-18-12-24-23(8-10-29-27(24)28)19(2)25(18)16-31-26-13-22(15-32-34-26)30-14-20-4-6-21(7-5-20)17-35-11-3-9-33-35/h3-13,15H,14,16-17H2,1-2H3,(H2,28,29)(H2,30,31,34)
InChIKeyUAFVOYUOHQQDFW-UHFFFAOYSA-N
XLogP4.69
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine with MolForge

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Related Compounds

1-[[4-[[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyridazin-4-yl]amino]methyl]phenyl]methyl]pyridin-2-one
CID 177306535
5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine
CID 171090125
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]pyrimidin-4-yl]amino]methyl]phenyl]methyl]pyridin-2-one
CID 171090161
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-[[4-[2-(benzylamino)-2-oxoethyl]phenyl]methyl]pyrazole-4-carboxamide
CID 171089908
5,7-dimethyl-6-[[[5-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine
CID 177306438
1-[[4-[[2-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]oxymethyl]phenyl]methyl]pyridin-2-one
CID 171090667
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(3-chloro-4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 171089743
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
6-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-4-N-(1,3-benzothiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 171090245
1-[[4-[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]oxymethyl]phenyl]methyl]-3-cyclopropylpyridin-2-one
CID 171090684

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine?
The IUPAC name of 3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine (CID 171089884) is 3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine.
What is the SMILES notation for 3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine?
The canonical SMILES for 3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine is Cc1cc2c(N)nccc2c(C)c1CNc1cc(NCc2ccc(Cn3cccn3)cc2)cnn1.
What is the InChIKey of 3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine?
The InChIKey is UAFVOYUOHQQDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8/c1-18-12-24-23(8-10-29-27(24)28)19(2)25(18)16-31-26-13-22(15-32-34-26)30-14-20-4-6-21(7-5-20)17-35-11-3-9-33-35/h3-13,15H,14,16-17H2,1-2H3,(H2,28,29)(H2,30,31,34).
What are the key properties of 3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine?
3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine has a molecular weight of 464.58 g/mol, XLogP of 4.69, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-5-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridazine-3,5-diamine is sourced from PubChem (CID 171089884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).