3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C22H23N7O2 — CID 135658859

IUPAC3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc3nncn3n2)c2c1C(c1ccc(OCC(C)C)cc1)CC(=O)N2
InChIInChI=1S/C22H23N7O2/c1-13(2)11-31-16-6-4-15(5-7-16)17-10-20(30)24-22-21(17)14(3)26-29(22)19-9-8-18-25-23-12-28(18)27-19/h4-9,12-13,17H,10-11H2,1-3H3,(H,24,30)
InChIKeyMHUDFCPMOKKHED-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.13
Rot. Bonds5

About 3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135658859) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135658859
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc3nncn3n2)c2c1C(c1ccc(OCC(C)C)cc1)CC(=O)N2
InChIInChI=1S/C22H23N7O2/c1-13(2)11-31-16-6-4-15(5-7-16)17-10-20(30)24-22-21(17)14(3)26-29(22)19-9-8-18-25-23-12-28(18)27-19/h4-9,12-13,17H,10-11H2,1-3H3,(H,24,30)
InChIKeyMHUDFCPMOKKHED-UHFFFAOYSA-N
XLogP3.13
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

(4S)-4-(4-butoxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136825352
4-(4-methoxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135658550
(4S)-4-(4-chlorophenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136823228
4-(4-bromophenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135658283
(4S)-3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878854
(4R)-4-[4-[(3-fluorophenyl)methoxy]phenyl]-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136825331
3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655860
4-(3,5-dimethoxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135658404
4-(4-methoxy-3-propan-2-yloxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135658714
4-(3-chloro-4-hydroxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135658489
3-methyl-4-(3-prop-2-enoxyphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135876802
4-(3-ethoxy-4-propoxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135876794

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135658859) is 3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccc3nncn3n2)c2c1C(c1ccc(OCC(C)C)cc1)CC(=O)N2.
What is the InChIKey of 3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is MHUDFCPMOKKHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-13(2)11-31-16-6-4-15(5-7-16)17-10-20(30)24-22-21(17)14(3)26-29(22)19-9-8-18-25-23-12-28(18)27-19/h4-9,12-13,17H,10-11H2,1-3H3,(H,24,30).
What are the key properties of 3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 417.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135658859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).