2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C26H21F2N7O2 — CID 90246060

IUPAC2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCOCC3)ccc2n1)c1ccnc(F)c1
InChIInChI=1S/C26H21F2N7O2/c27-18-3-1-16(2-4-18)24-25(34(15-30-24)19-8-11-37-12-9-19)20-5-6-23-31-22(14-35(23)33-20)32-26(36)17-7-10-29-21(28)13-17/h1-7,10,13-15,19H,8-9,11-12H2,(H,32,36)
InChIKeyYSAYXYJYWIIOIL-UHFFFAOYSA-N
MW501.50 g/mol
LogP4.54
Rot. Bonds5

About 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 90246060) has the molecular formula C26H21F2N7O2 and a molecular weight of 501.50 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
PubChem CID90246060
Molecular FormulaC26H21F2N7O2
Molecular Weight501.50 g/mol
Exact Mass501.17
IUPAC Name2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCOCC3)ccc2n1)c1ccnc(F)c1
InChIInChI=1S/C26H21F2N7O2/c27-18-3-1-16(2-4-18)24-25(34(15-30-24)19-8-11-37-12-9-19)20-5-6-23-31-22(14-35(23)33-20)32-26(36)17-7-10-29-21(28)13-17/h1-7,10,13-15,19H,8-9,11-12H2,(H,32,36)
InChIKeyYSAYXYJYWIIOIL-UHFFFAOYSA-N
XLogP4.54
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Tizaterkib
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N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
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(3R)-1-(2-(1-((4-fluorophenyl)methyl)-1H-indol-2-yl)-3-methylimidazo(1,2-a)pyridine-7-carbonyl)piperidin-3-amine
CID 138578805
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
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
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-[3-[4-Amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 132209868
1-[(3R)-3-[4-amino-3-[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 165368930
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 90246060) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCOCC3)ccc2n1)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The InChIKey is YSAYXYJYWIIOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N7O2/c27-18-3-1-16(2-4-18)24-25(34(15-30-24)19-8-11-37-12-9-19)20-5-6-23-31-22(14-35(23)33-20)32-26(36)17-7-10-29-21(28)13-17/h1-7,10,13-15,19H,8-9,11-12H2,(H,32,36).
What are the key properties of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 501.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 90246060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).