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

C23H33FN4O — CID 141064921

IUPAC2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine
SMILESCOc1ccc(C2=CC(CN3CCN(C)CC3)=CN(CC3CCCC3)N2)cc1F
InChIInChI=1S/C23H33FN4O/c1-26-9-11-27(12-10-26)15-19-13-22(20-7-8-23(29-2)21(24)14-20)25-28(17-19)16-18-5-3-4-6-18/h7-8,13-14,17-18,25H,3-6,9-12,15-16H2,1-2H3
InChIKeyBJVBFVWQDXGKSS-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.32
Rot. Bonds6

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

2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine (PubChem CID 141064921) has the molecular formula C23H33FN4O and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine
PubChem CID141064921
Molecular FormulaC23H33FN4O
Molecular Weight400.54 g/mol
Exact Mass400.26
IUPAC Name2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine
SMILESCOc1ccc(C2=CC(CN3CCN(C)CC3)=CN(CC3CCCC3)N2)cc1F
InChIInChI=1S/C23H33FN4O/c1-26-9-11-27(12-10-26)15-19-13-22(20-7-8-23(29-2)21(24)14-20)25-28(17-19)16-18-5-3-4-6-18/h7-8,13-14,17-18,25H,3-6,9-12,15-16H2,1-2H3
InChIKeyBJVBFVWQDXGKSS-UHFFFAOYSA-N
XLogP3.32
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Analyze 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine with MolForge

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Related Compounds

2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine
CID 141064904
[2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol
CID 141095991
[2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-1H-pyridazin-4-yl]methanol
CID 141096006
2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one
CID 10111611
1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 162432629
(3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 51635194
3-fluoro-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889797
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]cyclohexan-1-ol
CID 110883553
(2S)-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99951624
[(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol
CID 42528358
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 29087819
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine?
The IUPAC name of 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine (CID 141064921) is 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine.
What is the SMILES notation for 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine?
The canonical SMILES for 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine is COc1ccc(C2=CC(CN3CCN(C)CC3)=CN(CC3CCCC3)N2)cc1F.
What is the InChIKey of 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine?
The InChIKey is BJVBFVWQDXGKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O/c1-26-9-11-27(12-10-26)15-19-13-22(20-7-8-23(29-2)21(24)14-20)25-28(17-19)16-18-5-3-4-6-18/h7-8,13-14,17-18,25H,3-6,9-12,15-16H2,1-2H3.
What are the key properties of 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine?
2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine has a molecular weight of 400.54 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1H-pyridazine is sourced from PubChem (CID 141064921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).