(E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide

C18H20N6O2 — CID 143840352

IUPAC(E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide
SMILESCN/C=C(\C)C(=O)Nc1ccc(Oc2ccc3nc(NC)cn3n2)cc1
InChIInChI=1S/C18H20N6O2/c1-12(10-19-2)18(25)21-13-4-6-14(7-5-13)26-17-9-8-16-22-15(20-3)11-24(16)23-17/h4-11,19-20H,1-3H3,(H,21,25)/b12-10+
InChIKeyORGXXMXQDMSVDI-ZRDIBKRKSA-N
MW352.40 g/mol
LogP2.62
Rot. Bonds6

About (E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide

(E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide (PubChem CID 143840352) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is (E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide
PubChem CID143840352
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name(E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide
SMILESCN/C=C(\C)C(=O)Nc1ccc(Oc2ccc3nc(NC)cn3n2)cc1
InChIInChI=1S/C18H20N6O2/c1-12(10-19-2)18(25)21-13-4-6-14(7-5-13)26-17-9-8-16-22-15(20-3)11-24(16)23-17/h4-11,19-20H,1-3H3,(H,21,25)/b12-10+
InChIKeyORGXXMXQDMSVDI-ZRDIBKRKSA-N
XLogP2.62
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N~7~-(4-Ethoxyphenyl)-6-Methyl-N~5~-[(3s)-Piperidin-3-Yl]pyrazolo[1,5-A]pyrimidine-5,7-Diamine
CID 49867482
N-(3-fluoro-4-((2-(4-(3-dimethylaminopropyl)-4H-1,2,4-triazol-3-yl) pyridin-4-yl) oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide (12b)
CID 126842931
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 44181153
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 70988670
N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 3139598
N-(4-ethoxyphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
N1-(3-Fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yloxy)phenyl)-N3-(4-fluoro-phenyl)malonamide
CID 11546617
2-(4-(4-(trifluoromethoxy)phenylamino)-2H-pyrazolo[3,4-d]pyrimidin-2-yl)acetamide
CID 42633668
N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine
CID 45485214
N-(3-fluoro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46907765
2-(4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)acetamide
CID 49782105
N-[3-(imidazo[1,2-b]pyridazin-6-yloxy)phenyl]benzamide
CID 57441057

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide (CID 143840352) is (E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide is CN/C=C(\C)C(=O)Nc1ccc(Oc2ccc3nc(NC)cn3n2)cc1.
What is the InChIKey of (E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide?
The InChIKey is ORGXXMXQDMSVDI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12(10-19-2)18(25)21-13-4-6-14(7-5-13)26-17-9-8-16-22-15(20-3)11-24(16)23-17/h4-11,19-20H,1-3H3,(H,21,25)/b12-10+.
What are the key properties of (E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide?
(E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide has a molecular weight of 352.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(methylamino)-N-[4-[2-(methylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]prop-2-enamide is sourced from PubChem (CID 143840352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).