2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine

C24H25FN8 — CID 143662458

IUPAC2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
SMILES[H]/N=C(/C(F)c1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc2c1)n1nc(C)cc/c1=N\[H]
InChIInChI=1S/C24H25FN8/c1-15-2-5-22(26)33(31-15)24(27)23(25)16-3-4-21-17(10-16)11-18(12-29-21)19-13-30-32(14-19)20-6-8-28-9-7-20/h2-5,10-14,20,23,26-28H,6-9H2,1H3/b26-22+,27-24-
InChIKeyRMNPQFDTQDUSTK-VMYVUXIHSA-N
MW444.52 g/mol
LogP3.54
Rot. Bonds4

About 2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine

2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine (PubChem CID 143662458) has the molecular formula C24H25FN8 and a molecular weight of 444.52 g/mol. Its IUPAC name is 2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine.

Molecular Properties

Compound Name2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
PubChem CID143662458
Molecular FormulaC24H25FN8
Molecular Weight444.52 g/mol
Exact Mass444.22
IUPAC Name2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
SMILES[H]/N=C(/C(F)c1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc2c1)n1nc(C)cc/c1=N\[H]
InChIInChI=1S/C24H25FN8/c1-15-2-5-22(26)33(31-15)24(27)23(25)16-3-4-21-17(10-16)11-18(12-29-21)19-13-30-32(14-19)20-6-8-28-9-7-20/h2-5,10-14,20,23,26-28H,6-9H2,1H3/b26-22+,27-24-
InChIKeyRMNPQFDTQDUSTK-VMYVUXIHSA-N
XLogP3.54
TPSA108.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-fluoro-2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-1,2,4-triazin-3-imine
CID 143662489
2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
CID 70665637
3-(1-ethylpyrazol-4-yl)-6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
CID 59320405
7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride
CID 118497502
6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine
CID 143662580
3-[4-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile
CID 59320279
1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532470
methyl 2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxylate
CID 67388698
3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 142746604
3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123430712
6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfanylmethyl]pyrazolo[4,5-b]pyridine
CID 163566989
3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol
CID 67521356

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine?
The IUPAC name of 2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine (CID 143662458) is 2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine.
What is the SMILES notation for 2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine?
The canonical SMILES for 2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine is [H]/N=C(/C(F)c1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc2c1)n1nc(C)cc/c1=N\[H].
What is the InChIKey of 2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine?
The InChIKey is RMNPQFDTQDUSTK-VMYVUXIHSA-N. The full InChI is InChI=1S/C24H25FN8/c1-15-2-5-22(26)33(31-15)24(27)23(25)16-3-4-21-17(10-16)11-18(12-29-21)19-13-30-32(14-19)20-6-8-28-9-7-20/h2-5,10-14,20,23,26-28H,6-9H2,1H3/b26-22+,27-24-.
What are the key properties of 2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine?
2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine has a molecular weight of 444.52 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-2-[3-(1-piperidin-4-ylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine is sourced from PubChem (CID 143662458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).