1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone

C16H17FN4O2 — CID 71933003

IUPAC1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3nnc(N)cc3C2)cc1F
InChIInChI=1S/C16H17FN4O2/c1-23-14-3-2-10(6-12(14)17)7-16(22)21-5-4-13-11(9-21)8-15(18)20-19-13/h2-3,6,8H,4-5,7,9H2,1H3,(H2,18,20)
InChIKeyFGQLVBCSDMBSKO-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.33
Rot. Bonds3

About 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone

1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 71933003) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID71933003
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3nnc(N)cc3C2)cc1F
InChIInChI=1S/C16H17FN4O2/c1-23-14-3-2-10(6-12(14)17)7-16(22)21-5-4-13-11(9-21)8-15(18)20-19-13/h2-3,6,8H,4-5,7,9H2,1H3,(H2,18,20)
InChIKeyFGQLVBCSDMBSKO-UHFFFAOYSA-N
XLogP1.33
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone (CID 71933003) is 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCc3nnc(N)cc3C2)cc1F.
What is the InChIKey of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is FGQLVBCSDMBSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-23-14-3-2-10(6-12(14)17)7-16(22)21-5-4-13-11(9-21)8-15(18)20-19-13/h2-3,6,8H,4-5,7,9H2,1H3,(H2,18,20).
What are the key properties of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 316.34 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 71933003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).