5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one

C22H23N7O2 — CID 167062336

IUPAC5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1ccncc1-n1nc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cc1=O
InChIInChI=1S/C22H23N7O2/c1-27-9-11-28(12-10-27)16-5-3-15(4-6-16)21-22-17(24-25-21)13-20(30)29(26-22)18-14-23-8-7-19(18)31-2/h3-8,13-14,24H,9-12H2,1-2H3
InChIKeyOOFBXFGCVAQLAO-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.93
Rot. Bonds4

About 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one

5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 167062336) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID167062336
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1ccncc1-n1nc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cc1=O
InChIInChI=1S/C22H23N7O2/c1-27-9-11-28(12-10-27)16-5-3-15(4-6-16)21-22-17(24-25-21)13-20(30)29(26-22)18-14-23-8-7-19(18)31-2/h3-8,13-14,24H,9-12H2,1-2H3
InChIKeyOOFBXFGCVAQLAO-UHFFFAOYSA-N
XLogP1.93
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 167062336) is 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is COc1ccncc1-n1nc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cc1=O.
What is the InChIKey of 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is OOFBXFGCVAQLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-27-9-11-28(12-10-27)16-5-3-15(4-6-16)21-22-17(24-25-21)13-20(30)29(26-22)18-14-23-8-7-19(18)31-2/h3-8,13-14,24H,9-12H2,1-2H3.
What are the key properties of 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one?
5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 417.47 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 167062336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).