6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine

C23H24FN5O — CID 121286008

IUPAC6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine
SMILESC=C(N)c1ccc(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)cc1OC
InChIInChI=1S/C23H24FN5O/c1-15(25)17-7-6-16(13-20(17)30-2)19-8-9-21(29-28-19)27-14-23(10-4-11-23)22-18(24)5-3-12-26-22/h3,5-9,12-13H,1,4,10-11,14,25H2,2H3,(H,27,29)
InChIKeyLBCKRRCLHRLIRE-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.15
Rot. Bonds7

About 6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine

6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine (PubChem CID 121286008) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine
PubChem CID121286008
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine
SMILESC=C(N)c1ccc(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)cc1OC
InChIInChI=1S/C23H24FN5O/c1-15(25)17-7-6-16(13-20(17)30-2)19-8-9-21(29-28-19)27-14-23(10-4-11-23)22-18(24)5-3-12-26-22/h3,5-9,12-13H,1,4,10-11,14,25H2,2H3,(H,27,29)
InChIKeyLBCKRRCLHRLIRE-UHFFFAOYSA-N
XLogP4.15
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine?
The IUPAC name of 6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine (CID 121286008) is 6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine is C=C(N)c1ccc(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)cc1OC.
What is the InChIKey of 6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine?
The InChIKey is LBCKRRCLHRLIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-15(25)17-7-6-16(13-20(17)30-2)19-8-9-21(29-28-19)27-14-23(10-4-11-23)22-18(24)5-3-12-26-22/h3,5-9,12-13H,1,4,10-11,14,25H2,2H3,(H,27,29).
What are the key properties of 6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine?
6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine has a molecular weight of 405.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminoethenyl)-3-methoxyphenyl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine is sourced from PubChem (CID 121286008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).