6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one

C18H12F2N4O — CID 59849757

IUPAC6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C18H12F2N4O/c19-14-6-12(7-15(20)8-14)17-3-4-18(25)24(23-17)10-11-1-2-16-13(5-11)9-21-22-16/h1-9H,10H2,(H,21,22)
InChIKeyKFVZWIUPNSLBTG-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.11
Rot. Bonds3

About 6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one

6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one (PubChem CID 59849757) has the molecular formula C18H12F2N4O and a molecular weight of 338.32 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one
PubChem CID59849757
Molecular FormulaC18H12F2N4O
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C18H12F2N4O/c19-14-6-12(7-15(20)8-14)17-3-4-18(25)24(23-17)10-11-1-2-16-13(5-11)9-21-22-16/h1-9H,10H2,(H,21,22)
InChIKeyKFVZWIUPNSLBTG-UHFFFAOYSA-N
XLogP3.11
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one (CID 59849757) is 6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one is O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1ccc2[nH]ncc2c1.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one?
The InChIKey is KFVZWIUPNSLBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O/c19-14-6-12(7-15(20)8-14)17-3-4-18(25)24(23-17)10-11-1-2-16-13(5-11)9-21-22-16/h1-9H,10H2,(H,21,22).
What are the key properties of 6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one?
6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one has a molecular weight of 338.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-(1H-indazol-5-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 59849757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).