2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C24H17F2N7O2 — CID 90241829

IUPAC2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCOC4)ccc2n1)c1ccnc(F)c1
InChIInChI=1S/C24H17F2N7O2/c25-16-3-1-14(2-4-16)22-23(32-9-10-35-13-21(32)30-22)17-5-6-20-28-19(12-33(20)31-17)29-24(34)15-7-8-27-18(26)11-15/h1-8,11-12H,9-10,13H2,(H,29,34)
InChIKeyFYQNJJGCNBRFDW-UHFFFAOYSA-N
MW473.44 g/mol
LogP3.72
Rot. Bonds4

About 2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 90241829) has the molecular formula C24H17F2N7O2 and a molecular weight of 473.44 g/mol. Its IUPAC name is 2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
PubChem CID90241829
Molecular FormulaC24H17F2N7O2
Molecular Weight473.44 g/mol
Exact Mass473.14
IUPAC Name2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCOC4)ccc2n1)c1ccnc(F)c1
InChIInChI=1S/C24H17F2N7O2/c25-16-3-1-14(2-4-16)22-23(32-9-10-35-13-21(32)30-22)17-5-6-20-28-19(12-33(20)31-17)29-24(34)15-7-8-27-18(26)11-15/h1-8,11-12H,9-10,13H2,(H,29,34)
InChIKeyFYQNJJGCNBRFDW-UHFFFAOYSA-N
XLogP3.72
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

Tizaterkib
CID 129116690
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
GSK-3|A inhibitor 13
CID 134551592
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
4-N-[2-(2-fluoroethoxy)ethyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87382935
US10399985, Example 31
CID 118278223
1-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(pyridin-3-yl)urea
CID 44606133
4-[8-amino-3-[(3R,8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77107457
(3R)-3-(methoxymethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604308
US10774086, Example 7
CID 134551551
US10774086, Example 17
CID 134551553

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 90241829) is 2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCOC4)ccc2n1)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The InChIKey is FYQNJJGCNBRFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N7O2/c25-16-3-1-14(2-4-16)22-23(32-9-10-35-13-21(32)30-22)17-5-6-20-28-19(12-33(20)31-17)29-24(34)15-7-8-27-18(26)11-15/h1-8,11-12H,9-10,13H2,(H,29,34).
What are the key properties of 2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 473.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 90241829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).