6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine

C18H14FN5O — CID 134807294

IUPAC6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1cncc(Nc2cnc3ccc(-c4ccc(F)cc4)nn23)c1
InChIInChI=1S/C18H14FN5O/c1-25-15-8-14(9-20-10-15)22-18-11-21-17-7-6-16(23-24(17)18)12-2-4-13(19)5-3-12/h2-11,22H,1H3
InChIKeyPAUSCWKICGRVMO-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.68
Rot. Bonds4

About 6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine

6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine (PubChem CID 134807294) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine
PubChem CID134807294
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1cncc(Nc2cnc3ccc(-c4ccc(F)cc4)nn23)c1
InChIInChI=1S/C18H14FN5O/c1-25-15-8-14(9-20-10-15)22-18-11-21-17-7-6-16(23-24(17)18)12-2-4-13(19)5-3-12/h2-11,22H,1H3
InChIKeyPAUSCWKICGRVMO-UHFFFAOYSA-N
XLogP3.68
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Taletrectinib
CID 72202474
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
US10399985, Example 45
CID 122693993
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406917
3H-1,2,3-Triazolo[4,5-b]pyridin-5-amine, 7-methoxy-N-(4-piperidinylmethyl)-3-[3-(trifluoromethoxy)phenyl]-
CID 53372790
7-(2-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577892
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-morpholin-4-yl-phenyl)-amine
CID 57392473
(2S)-1-[4-[2-fluoro-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57392475
(S)-1-(4-{4-[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-piperazin-1-yl)-propan-2-ol
CID 57399414

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine (CID 134807294) is 6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine is COc1cncc(Nc2cnc3ccc(-c4ccc(F)cc4)nn23)c1.
What is the InChIKey of 6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine?
The InChIKey is PAUSCWKICGRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-25-15-8-14(9-20-10-15)22-18-11-21-17-7-6-16(23-24(17)18)12-2-4-13(19)5-3-12/h2-11,22H,1H3.
What are the key properties of 6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine?
6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine has a molecular weight of 335.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 134807294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).