2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine

C23H33FN4O — CID 141064904

IUPAC2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine
SMILESCOc1ccc(C2=CC(CCCN3CCN(C)CC3)=CN(CC3CC3)N2)cc1F
InChIInChI=1S/C23H33FN4O/c1-26-10-12-27(13-11-26)9-3-4-19-14-22(25-28(17-19)16-18-5-6-18)20-7-8-23(29-2)21(24)15-20/h7-8,14-15,17-18,25H,3-6,9-13,16H2,1-2H3
InChIKeyWXOCPERBJHLEAC-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.32
Rot. Bonds8

About 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine

2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine (PubChem CID 141064904) has the molecular formula C23H33FN4O and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine
PubChem CID141064904
Molecular FormulaC23H33FN4O
Molecular Weight400.54 g/mol
Exact Mass400.26
IUPAC Name2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine
SMILESCOc1ccc(C2=CC(CCCN3CCN(C)CC3)=CN(CC3CC3)N2)cc1F
InChIInChI=1S/C23H33FN4O/c1-26-10-12-27(13-11-26)9-3-4-19-14-22(25-28(17-19)16-18-5-6-18)20-7-8-23(29-2)21(24)15-20/h7-8,14-15,17-18,25H,3-6,9-13,16H2,1-2H3
InChIKeyWXOCPERBJHLEAC-UHFFFAOYSA-N
XLogP3.32
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine
CID 141064921
[2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol
CID 141096006
2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one
CID 10157823
[2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol
CID 141095991
3-fluoro-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889797
N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide
CID 91661909
1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine
CID 170863809
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
CID 170863135
1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863622
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine?
The IUPAC name of 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine (CID 141064904) is 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine?
The canonical SMILES for 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine is COc1ccc(C2=CC(CCCN3CCN(C)CC3)=CN(CC3CC3)N2)cc1F.
What is the InChIKey of 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine?
The InChIKey is WXOCPERBJHLEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O/c1-26-10-12-27(13-11-26)9-3-4-19-14-22(25-28(17-19)16-18-5-6-18)20-7-8-23(29-2)21(24)15-20/h7-8,14-15,17-18,25H,3-6,9-13,16H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine?
2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine has a molecular weight of 400.54 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine is sourced from PubChem (CID 141064904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).