2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol

C21H22FN7O — CID 143854503

IUPAC2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
SMILES[H]/N=C/c1cc(C(C)c2cnc3ccc(-c4cnn(CCO)c4)nn23)c(F)cc1NC
InChIInChI=1S/C21H22FN7O/c1-13(16-7-14(9-23)19(24-2)8-17(16)22)20-11-25-21-4-3-18(27-29(20)21)15-10-26-28(12-15)5-6-30/h3-4,7-13,23-24,30H,5-6H2,1-2H3/b23-9+
InChIKeyUCTOYGCQPJACKS-NUGSKGIGSA-N
MW407.45 g/mol
LogP2.92
Rot. Bonds7

About 2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol

2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol (PubChem CID 143854503) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
PubChem CID143854503
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
SMILES[H]/N=C/c1cc(C(C)c2cnc3ccc(-c4cnn(CCO)c4)nn23)c(F)cc1NC
InChIInChI=1S/C21H22FN7O/c1-13(16-7-14(9-23)19(24-2)8-17(16)22)20-11-25-21-4-3-18(27-29(20)21)15-10-26-28(12-15)5-6-30/h3-4,7-13,23-24,30H,5-6H2,1-2H3/b23-9+
InChIKeyUCTOYGCQPJACKS-NUGSKGIGSA-N
XLogP2.92
TPSA104.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
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CID 44520824
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
(3R,4S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol
CID 118329676
(2S)-2-((3-(3-aminophenyl)imidazo(1,2-b)pyridazin-6-yl)amino)-3-methylbutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol (CID 143854503) is 2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol is [H]/N=C/c1cc(C(C)c2cnc3ccc(-c4cnn(CCO)c4)nn23)c(F)cc1NC.
What is the InChIKey of 2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol?
The InChIKey is UCTOYGCQPJACKS-NUGSKGIGSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-13(16-7-14(9-23)19(24-2)8-17(16)22)20-11-25-21-4-3-18(27-29(20)21)15-10-26-28(12-15)5-6-30/h3-4,7-13,23-24,30H,5-6H2,1-2H3/b23-9+.
What are the key properties of 2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol?
2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol has a molecular weight of 407.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 143854503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).