1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine

C23H27FN6 — CID 71066688

IUPAC1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)cc3C)CC2)nc1
InChIInChI=1S/C23H27FN6/c1-17-13-21(14-18-3-6-20(24)7-4-18)27-28-23(17)30-11-9-29(10-12-30)22-8-5-19(15-25-2)16-26-22/h3-8,13,16,25H,9-12,14-15H2,1-2H3
InChIKeyNWPQTMVZEMYCBA-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.96
Rot. Bonds6

About 1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine

1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine (PubChem CID 71066688) has the molecular formula C23H27FN6 and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine
PubChem CID71066688
Molecular FormulaC23H27FN6
Molecular Weight406.51 g/mol
Exact Mass406.23
IUPAC Name1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)cc3C)CC2)nc1
InChIInChI=1S/C23H27FN6/c1-17-13-21(14-18-3-6-20(24)7-4-18)27-28-23(17)30-11-9-29(10-12-30)22-8-5-19(15-25-2)16-26-22/h3-8,13,16,25H,9-12,14-15H2,1-2H3
InChIKeyNWPQTMVZEMYCBA-UHFFFAOYSA-N
XLogP2.96
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine with MolForge

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Related Compounds

4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde
CID 102546827
3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 57471599
1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86987548
N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 114538637
1-[5-(bromomethyl)-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 107079265
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232712
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
N-methyl-1-[6-(2,2,6,6-tetramethylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 102744829
1-(6-piperidin-1-yl-3-pyridinyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 56824519
6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 155021554
1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626663
1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide
CID 55913883

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine (CID 71066688) is 1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine is CNCc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)cc3C)CC2)nc1.
What is the InChIKey of 1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine?
The InChIKey is NWPQTMVZEMYCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6/c1-17-13-21(14-18-3-6-20(24)7-4-18)27-28-23(17)30-11-9-29(10-12-30)22-8-5-19(15-25-2)16-26-22/h3-8,13,16,25H,9-12,14-15H2,1-2H3.
What are the key properties of 1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine?
1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine has a molecular weight of 406.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 71066688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).