1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine

C15H20FN5 — CID 128972211

IUPAC1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine
SMILESCn1ccc(CNC[C@@H]2C[C@H](F)CN2c2cccnn2)c1
InChIInChI=1S/C15H20FN5/c1-20-6-4-12(10-20)8-17-9-14-7-13(16)11-21(14)15-3-2-5-18-19-15/h2-6,10,13-14,17H,7-9,11H2,1H3/t13-,14-/m0/s1
InChIKeyQSOPQGIDWGRIOQ-KBPBESRZSA-N
MW289.36 g/mol
LogP1.52
Rot. Bonds5

About 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine

1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine (PubChem CID 128972211) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine
PubChem CID128972211
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine
SMILESCn1ccc(CNC[C@@H]2C[C@H](F)CN2c2cccnn2)c1
InChIInChI=1S/C15H20FN5/c1-20-6-4-12(10-20)8-17-9-14-7-13(16)11-21(14)15-3-2-5-18-19-15/h2-6,10,13-14,17H,7-9,11H2,1H3/t13-,14-/m0/s1
InChIKeyQSOPQGIDWGRIOQ-KBPBESRZSA-N
XLogP1.52
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine (CID 128972211) is 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine is Cn1ccc(CNC[C@@H]2C[C@H](F)CN2c2cccnn2)c1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine?
The InChIKey is QSOPQGIDWGRIOQ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20FN5/c1-20-6-4-12(10-20)8-17-9-14-7-13(16)11-21(14)15-3-2-5-18-19-15/h2-6,10,13-14,17H,7-9,11H2,1H3/t13-,14-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine?
1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine has a molecular weight of 289.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine is sourced from PubChem (CID 128972211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).