3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide

C24H21F2N5O3 — CID 159860896

IUPAC3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCNC(=O)c1cc(F)c(F)c(-c2cnc3cc(-c4ccc(C)nc4)c(O[C@H]4CCOC4)nn23)c1
InChIInChI=1S/C24H21F2N5O3/c1-13-3-4-14(10-28-13)17-9-21-29-11-20(31(21)30-24(17)34-16-5-6-33-12-16)18-7-15(23(32)27-2)8-19(25)22(18)26/h3-4,7-11,16H,5-6,12H2,1-2H3,(H,27,32)/t16-/m0/s1
InChIKeyNRDAWIPRMFCVLX-INIZCTEOSA-N
MW465.46 g/mol
LogP3.57
Rot. Bonds5

About 3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide

3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 159860896) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is 3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID159860896
Molecular FormulaC24H21F2N5O3
Molecular Weight465.46 g/mol
Exact Mass465.16
IUPAC Name3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCNC(=O)c1cc(F)c(F)c(-c2cnc3cc(-c4ccc(C)nc4)c(O[C@H]4CCOC4)nn23)c1
InChIInChI=1S/C24H21F2N5O3/c1-13-3-4-14(10-28-13)17-9-21-29-11-20(31(21)30-24(17)34-16-5-6-33-12-16)18-7-15(23(32)27-2)8-19(25)22(18)26/h3-4,7-11,16H,5-6,12H2,1-2H3,(H,27,32)/t16-/m0/s1
InChIKeyNRDAWIPRMFCVLX-INIZCTEOSA-N
XLogP3.57
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 166643762
4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 166643712
N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 162265809
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine
CID 166643766
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide
CID 58188210
3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine
CID 158705344
4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide
CID 55218798
N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide
CID 59360027
N-(2,6-difluorophenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815300
N-[(3S)-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-yl]-2-(oxolan-3-yloxy)pyrimidine-5-carboxamide
CID 66813411
2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 124616240

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide (CID 159860896) is 3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide is CNC(=O)c1cc(F)c(F)c(-c2cnc3cc(-c4ccc(C)nc4)c(O[C@H]4CCOC4)nn23)c1.
What is the InChIKey of 3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is NRDAWIPRMFCVLX-INIZCTEOSA-N. The full InChI is InChI=1S/C24H21F2N5O3/c1-13-3-4-14(10-28-13)17-9-21-29-11-20(31(21)30-24(17)34-16-5-6-33-12-16)18-7-15(23(32)27-2)8-19(25)22(18)26/h3-4,7-11,16H,5-6,12H2,1-2H3,(H,27,32)/t16-/m0/s1.
What are the key properties of 3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide?
3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 465.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 159860896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).