2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol

C24H26N6O4 — CID 139531077

IUPAC2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol
SMILESCOCOc1ccccc1-c1cc(-c2cnn(C(C)c3ccc(OCCO)nc3)c2)c(N)nn1
InChIInChI=1S/C24H26N6O4/c1-16(17-7-8-23(26-12-17)33-10-9-31)30-14-18(13-27-30)20-11-21(28-29-24(20)25)19-5-3-4-6-22(19)34-15-32-2/h3-8,11-14,16,31H,9-10,15H2,1-2H3,(H2,25,29)
InChIKeySOFWBUAQHUYYSD-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.95
Rot. Bonds10

About 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol

2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol (PubChem CID 139531077) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol
PubChem CID139531077
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol
SMILESCOCOc1ccccc1-c1cc(-c2cnn(C(C)c3ccc(OCCO)nc3)c2)c(N)nn1
InChIInChI=1S/C24H26N6O4/c1-16(17-7-8-23(26-12-17)33-10-9-31)30-14-18(13-27-30)20-11-21(28-29-24(20)25)19-5-3-4-6-22(19)34-15-32-2/h3-8,11-14,16,31H,9-10,15H2,1-2H3,(H2,25,29)
InChIKeySOFWBUAQHUYYSD-UHFFFAOYSA-N
XLogP2.95
TPSA130.43 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol (CID 139531077) is 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol is COCOc1ccccc1-c1cc(-c2cnn(C(C)c3ccc(OCCO)nc3)c2)c(N)nn1.
What is the InChIKey of 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol?
The InChIKey is SOFWBUAQHUYYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-16(17-7-8-23(26-12-17)33-10-9-31)30-14-18(13-27-30)20-11-21(28-29-24(20)25)19-5-3-4-6-22(19)34-15-32-2/h3-8,11-14,16,31H,9-10,15H2,1-2H3,(H2,25,29).
What are the key properties of 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol?
2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol has a molecular weight of 462.51 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 139531077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).