7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile

C23H23FN8O2 — CID 146345358

IUPAC7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESCC(C)(O)[C@H](F)Cn1cc(-c2cnc(-c3ccc4cc(C#N)cnn34)cc2NC2COC2)nn1
InChIInChI=1S/C23H23FN8O2/c1-23(2,33)22(24)11-31-10-20(29-30-31)17-9-26-19(6-18(17)28-15-12-34-13-15)21-4-3-16-5-14(7-25)8-27-32(16)21/h3-6,8-10,15,22,33H,11-13H2,1-2H3,(H,26,28)/t22-/m1/s1
InChIKeyOAZLMVQFPLJACN-JOCHJYFZSA-N
MW462.49 g/mol
LogP2.45
Rot. Bonds7

About 7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile

7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 146345358) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is 7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
PubChem CID146345358
Molecular FormulaC23H23FN8O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC Name7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESCC(C)(O)[C@H](F)Cn1cc(-c2cnc(-c3ccc4cc(C#N)cnn34)cc2NC2COC2)nn1
InChIInChI=1S/C23H23FN8O2/c1-23(2,33)22(24)11-31-10-20(29-30-31)17-9-26-19(6-18(17)28-15-12-34-13-15)21-4-3-16-5-14(7-25)8-27-32(16)21/h3-6,8-10,15,22,33H,11-13H2,1-2H3,(H,26,28)/t22-/m1/s1
InChIKeyOAZLMVQFPLJACN-JOCHJYFZSA-N
XLogP2.45
TPSA126.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
CID 67469574
1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
CID 67470405
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-4-((1-((R)-1-(oxetan-3-yl)pyrrolidin-3-yl)-1H-pyrazol-4-yl)amino)nicotinamide
CID 135307814
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-4-((1-((R)-tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)amino) nicotinamide
CID 138703418
(R)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((1-(2-methoxyethyl)-1H-pyrazol-4-yl)amino) nicotinamide
CID 138703662
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-4-((1-((S)-tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)amino) nicotinamide
CID 138704155
(R)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methyl-butyl)-4-((1-(oxetan-3-yl)-1H-pyrazol-4-yl)amino) nicotinamide
CID 138704361
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-4-((1-((S)-1-(oxetan-3-yl)pyrrolidin-3-yl)-1H-pyrazol-4-yl)amino)nicotinamide
CID 139316114
(R)-7-(5-(1-(2-fluoro-3-hydroxy-3-methylbutyl)-1H-1,2,3-triazol-4-yl)-4-((4-morpholinobicyclo[2.2.2]octan-1-yl)amino)pyridin-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146345351
(R)-7-(5-(1-(2-fluoro-3-hydroxy-3-methylbutyl)-1H-1,2,3-triazol-4-yl)-4-((4-(2-oxooxazolidin-3-yl)bicyclo[2.2.2]octan-1-yl)amino)pyridin-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146345380
7-(4-(((R)-1-cyanoethyl)amino)-5-(1-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-1H-1,2,3-triazol-4-yl)pyridin-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146345415
US11702414, Example 14
CID 146441319

Frequently Asked Questions

What is the IUPAC name of 7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile (CID 146345358) is 7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile is CC(C)(O)[C@H](F)Cn1cc(-c2cnc(-c3ccc4cc(C#N)cnn34)cc2NC2COC2)nn1.
What is the InChIKey of 7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is OAZLMVQFPLJACN-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-23(2,33)22(24)11-31-10-20(29-30-31)17-9-26-19(6-18(17)28-15-12-34-13-15)21-4-3-16-5-14(7-25)8-27-32(16)21/h3-6,8-10,15,22,33H,11-13H2,1-2H3,(H,26,28)/t22-/m1/s1.
What are the key properties of 7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile?
7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 462.49 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-(oxetan-3-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 146345358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).