[2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol

C25H26F2N6O3 — CID 137424445

IUPAC[2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol
SMILESCC(C)n1nccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12
InChIInChI=1S/C25H26F2N6O3/c1-14(2)33-19(4-7-31-33)16-10-29-23-21(16)20(5-6-28-23)36-22-17(26)8-15(9-18(22)27)32-24-30-11-25(3,12-34)13-35-24/h4-10,14,34H,11-13H2,1-3H3,(H,28,29)(H,30,32)
InChIKeyDBJUOTMUIAWAIE-UHFFFAOYSA-N
MW496.52 g/mol
LogP4.87
Rot. Bonds6

About [2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol

[2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol (PubChem CID 137424445) has the molecular formula C25H26F2N6O3 and a molecular weight of 496.52 g/mol. Its IUPAC name is [2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol.

Molecular Properties

Compound Name[2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol
PubChem CID137424445
Molecular FormulaC25H26F2N6O3
Molecular Weight496.52 g/mol
Exact Mass496.20
IUPAC Name[2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol
SMILESCC(C)n1nccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12
InChIInChI=1S/C25H26F2N6O3/c1-14(2)33-19(4-7-31-33)16-10-29-23-21(16)20(5-6-28-23)36-22-17(26)8-15(9-18(22)27)32-24-30-11-25(3,12-34)13-35-24/h4-10,14,34H,11-13H2,1-3H3,(H,28,29)(H,30,32)
InChIKeyDBJUOTMUIAWAIE-UHFFFAOYSA-N
XLogP4.87
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol 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-(4-(benzyloxy)phenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)urea
CID 44587530
N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155126886
Trk-IN-6
CID 155668394
CID 147586763
CID 147586763
4-butoxy-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 10833355
1-(2-{[4-({3-fluoro-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)piperidin-4-ol
CID 11670167
1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)-3-(3-methoxyphenyl)urea
CID 44587583
1-((tetrahydrofuran-3-yl)methyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 49782108
4-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766931
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-4-(trifluoromethoxy)aniline
CID 54767087
4-[[4-[4-(3-Hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743442
4-[[4-(4-Propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743458

Frequently Asked Questions

What is the IUPAC name of [2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol?
The IUPAC name of [2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol (CID 137424445) is [2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol.
What is the SMILES notation for [2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol?
The canonical SMILES for [2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol is CC(C)n1nccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12.
What is the InChIKey of [2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol?
The InChIKey is DBJUOTMUIAWAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O3/c1-14(2)33-19(4-7-31-33)16-10-29-23-21(16)20(5-6-28-23)36-22-17(26)8-15(9-18(22)27)32-24-30-11-25(3,12-34)13-35-24/h4-10,14,34H,11-13H2,1-3H3,(H,28,29)(H,30,32).
What are the key properties of [2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol?
[2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol has a molecular weight of 496.52 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3,5-difluoro-4-[[3-(2-propan-2-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]anilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol is sourced from PubChem (CID 137424445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).