4-(3-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

C18H14ClN7O — CID 135658385

IUPAC4-(3-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
SMILESCc1nn(-c2ccc3nncn3n2)c2c1C(c1cccc(Cl)c1)CC(=O)N2
InChIInChI=1S/C18H14ClN7O/c1-10-17-13(11-3-2-4-12(19)7-11)8-16(27)21-18(17)26(23-10)15-6-5-14-22-20-9-25(14)24-15/h2-7,9,13H,8H2,1H3,(H,21,27)
InChIKeyMIQYVQYHNCQSMP-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.75
Rot. Bonds2

About 4-(3-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

4-(3-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 (PubChem CID 135658385) has the molecular formula C18H14ClN7O and a molecular weight of 379.81 g/mol. Its IUPAC name is 4-(3-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.

Molecular Properties

Compound Name4-(3-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
PubChem CID135658385
Molecular FormulaC18H14ClN7O
Molecular Weight379.81 g/mol
Exact Mass379.09
IUPAC Name4-(3-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
SMILESCc1nn(-c2ccc3nncn3n2)c2c1C(c1cccc(Cl)c1)CC(=O)N2
InChIInChI=1S/C18H14ClN7O/c1-10-17-13(11-3-2-4-12(19)7-11)8-16(27)21-18(17)26(23-10)15-6-5-14-22-20-9-25(14)24-15/h2-7,9,13H,8H2,1H3,(H,21,27)
InChIKeyMIQYVQYHNCQSMP-UHFFFAOYSA-N
XLogP2.75
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-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?
The IUPAC name of 4-(3-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 135658385) is 4-(3-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.
What is the SMILES notation for 4-(3-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?
The canonical SMILES for 4-(3-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 is Cc1nn(-c2ccc3nncn3n2)c2c1C(c1cccc(Cl)c1)CC(=O)N2.
What is the InChIKey of 4-(3-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?
The InChIKey is MIQYVQYHNCQSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN7O/c1-10-17-13(11-3-2-4-12(19)7-11)8-16(27)21-18(17)26(23-10)15-6-5-14-22-20-9-25(14)24-15/h2-7,9,13H,8H2,1H3,(H,21,27).
What are the key properties of 4-(3-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?
4-(3-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 has a molecular weight of 379.81 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-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 is sourced from PubChem (CID 135658385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).