6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide

C20H21ClF2N6O2 — CID 139508040

IUPAC6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide
SMILESCC(C)(F)[C@H](F)CNC(=O)c1cnc(-c2cnc3cc(Cl)cnn23)cc1NC1COC1
InChIInChI=1S/C20H21ClF2N6O2/c1-20(2,23)17(22)8-26-19(30)13-6-24-15(4-14(13)28-12-9-31-10-12)16-7-25-18-3-11(21)5-27-29(16)18/h3-7,12,17H,8-10H2,1-2H3,(H,24,28)(H,26,30)/t17-/m1/s1
InChIKeyUUWHLVLABHLFLS-QGZVFWFLSA-N
MW450.88 g/mol
LogP3.07
Rot. Bonds7

About 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide

6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide (PubChem CID 139508040) has the molecular formula C20H21ClF2N6O2 and a molecular weight of 450.88 g/mol. Its IUPAC name is 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide
PubChem CID139508040
Molecular FormulaC20H21ClF2N6O2
Molecular Weight450.88 g/mol
Exact Mass450.14
IUPAC Name6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide
SMILESCC(C)(F)[C@H](F)CNC(=O)c1cnc(-c2cnc3cc(Cl)cnn23)cc1NC1COC1
InChIInChI=1S/C20H21ClF2N6O2/c1-20(2,23)17(22)8-26-19(30)13-6-24-15(4-14(13)28-12-9-31-10-12)16-7-25-18-3-11(21)5-27-29(16)18/h3-7,12,17H,8-10H2,1-2H3,(H,24,28)(H,26,30)/t17-/m1/s1
InChIKeyUUWHLVLABHLFLS-QGZVFWFLSA-N
XLogP3.07
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
CID 139508168
6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-4-(cyclopropylamino)pyridine-3-carboxamide
CID 145219290
6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide
CID 118206557
6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 139508066
N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 139508241
6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 139508280
6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-fluoropropan-2-ylamino)pyridine-3-carboxamide
CID 139508227
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[1-(oxetan-3-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 138704038
6-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxan-4-ylamino)pyridine-3-carboxamide
CID 118206009
6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 139508275
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-morpholin-4-ylcyclohexyl)amino]pyridine-3-carboxamide
CID 138704268
[4-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[(2-fluoro-3-hydroxy-3-methylbutyl)carbamoyl]-4-pyridinyl]amino]cyclohexyl]carbamic acid
CID 138704399

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide (CID 139508040) is 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide is CC(C)(F)[C@H](F)CNC(=O)c1cnc(-c2cnc3cc(Cl)cnn23)cc1NC1COC1.
What is the InChIKey of 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide?
The InChIKey is UUWHLVLABHLFLS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21ClF2N6O2/c1-20(2,23)17(22)8-26-19(30)13-6-24-15(4-14(13)28-12-9-31-10-12)16-7-25-18-3-11(21)5-27-29(16)18/h3-7,12,17H,8-10H2,1-2H3,(H,24,28)(H,26,30)/t17-/m1/s1.
What are the key properties of 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide?
6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide has a molecular weight of 450.88 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-[(2R)-2,3-difluoro-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 139508040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).