3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine

C23H16ClFN6 — CID 177316285

IUPAC3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3ccc(F)cn3)nn2c1-c1ccc(CCl)cc1
InChIInChI=1S/C23H16ClFN6/c24-12-14-3-5-15(6-4-14)22-21(17-2-1-11-27-23(17)26)29-20-10-9-19(30-31(20)22)18-8-7-16(25)13-28-18/h1-11,13H,12H2,(H2,26,27)
InChIKeyBQMXXUTYBQJVMK-UHFFFAOYSA-N
MW430.87 g/mol
LogP4.98
Rot. Bonds4

About 3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine

3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine (PubChem CID 177316285) has the molecular formula C23H16ClFN6 and a molecular weight of 430.87 g/mol. Its IUPAC name is 3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine
PubChem CID177316285
Molecular FormulaC23H16ClFN6
Molecular Weight430.87 g/mol
Exact Mass430.11
IUPAC Name3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3ccc(F)cn3)nn2c1-c1ccc(CCl)cc1
InChIInChI=1S/C23H16ClFN6/c24-12-14-3-5-15(6-4-14)22-21(17-2-1-11-27-23(17)26)29-20-10-9-19(30-31(20)22)18-8-7-16(25)13-28-18/h1-11,13H,12H2,(H2,26,27)
InChIKeyBQMXXUTYBQJVMK-UHFFFAOYSA-N
XLogP4.98
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177316258
3-[3-[4-(chloromethyl)phenyl]-5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-2-yl]pyridin-2-amine
CID 177317077
N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide
CID 177316123
3-[1-chloro-3-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)indolizin-2-yl]pyridin-2-amine;ethane
CID 177316474
3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177316980
6-(5-fluoro-2-pyridinyl)-3-methyl-2-(2-nitro-3-pyridinyl)imidazo[1,2-b]pyridazine
CID 177316439
ethane;3-[3-(5-fluoro-2-pyridinyl)-8-methylpyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine
CID 177316248
3-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyridin-2-amine
CID 177316308
3-[3-[4-(chloromethyl)phenyl]-5-(5-propan-2-yl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177317072
3-[6-[[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-methoxycyclobut-3-ene-1,2-dione
CID 177316445
3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171493895
5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile
CID 171494572

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine (CID 177316285) is 3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(-c3ccc(F)cn3)nn2c1-c1ccc(CCl)cc1.
What is the InChIKey of 3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine?
The InChIKey is BQMXXUTYBQJVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6/c24-12-14-3-5-15(6-4-14)22-21(17-2-1-11-27-23(17)26)29-20-10-9-19(30-31(20)22)18-8-7-16(25)13-28-18/h1-11,13H,12H2,(H2,26,27).
What are the key properties of 3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine?
3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine has a molecular weight of 430.87 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 177316285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).