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

C18H15N5O — CID 134811008

IUPACN-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine
SMILESCOc1cncc(Nc2cnc3ccc(-c4ccccc4)nn23)c1
InChIInChI=1S/C18H15N5O/c1-24-15-9-14(10-19-11-15)21-18-12-20-17-8-7-16(22-23(17)18)13-5-3-2-4-6-13/h2-12,21H,1H3
InChIKeyIBQWLLYDOLRKJH-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.54
Rot. Bonds4

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

N-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine (PubChem CID 134811008) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine
PubChem CID134811008
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine
SMILESCOc1cncc(Nc2cnc3ccc(-c4ccccc4)nn23)c1
InChIInChI=1S/C18H15N5O/c1-24-15-9-14(10-19-11-15)21-18-12-20-17-8-7-16(22-23(17)18)13-5-3-2-4-6-13/h2-12,21H,1H3
InChIKeyIBQWLLYDOLRKJH-UHFFFAOYSA-N
XLogP3.54
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bms-690514
CID 11349170
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
1-(5-Butoxypyridin-3-Yl)-4-Methyl-8-(Morpholin-4-Ylmethyl)[1,2,4]triazolo[4,3-A]quinoxaline
CID 71153408
US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
US10399985, Example 45
CID 122693993
7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648929
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
7-(2-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577892
(2S)-1-[4-[3-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57390669

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of N-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine (CID 134811008) is N-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for N-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for N-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine is COc1cncc(Nc2cnc3ccc(-c4ccccc4)nn23)c1.
What is the InChIKey of N-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine?
The InChIKey is IBQWLLYDOLRKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-24-15-9-14(10-19-11-15)21-18-12-20-17-8-7-16(22-23(17)18)13-5-3-2-4-6-13/h2-12,21H,1H3.
What are the key properties of N-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine?
N-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine has a molecular weight of 317.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-3-pyridinyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 134811008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).