4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one

C23H20ClN9O — CID 86292783

IUPAC4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccnn2C)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3n1)C2=O
InChIInChI=1S/C23H20ClN9O/c1-12-11-17(29-32-14(3)26-27-22(12)32)31-20(15-5-7-16(24)8-6-15)19-13(2)28-33(21(19)23(31)34)18-9-10-25-30(18)4/h5-11,20H,1-4H3
InChIKeyPXTNXIAHIKBHPF-UHFFFAOYSA-N
MW473.93 g/mol
LogP3.37
Rot. Bonds3

About 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one

4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 86292783) has the molecular formula C23H20ClN9O and a molecular weight of 473.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID86292783
Molecular FormulaC23H20ClN9O
Molecular Weight473.93 g/mol
Exact Mass473.15
IUPAC Name4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccnn2C)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3n1)C2=O
InChIInChI=1S/C23H20ClN9O/c1-12-11-17(29-32-14(3)26-27-22(12)32)31-20(15-5-7-16(24)8-6-15)19-13(2)28-33(21(19)23(31)34)18-9-10-25-30(18)4/h5-11,20H,1-4H3
InChIKeyPXTNXIAHIKBHPF-UHFFFAOYSA-N
XLogP3.37
TPSA99.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.93
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 86292783) is 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(-c2ccnn2C)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3n1)C2=O.
What is the InChIKey of 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is PXTNXIAHIKBHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN9O/c1-12-11-17(29-32-14(3)26-27-22(12)32)31-20(15-5-7-16(24)8-6-15)19-13(2)28-33(21(19)23(31)34)18-9-10-25-30(18)4/h5-11,20H,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 473.93 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methyl-1-(2-methylpyrazol-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 86292783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).