2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

C20H18FN5O — CID 162760602

IUPAC2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCC1(C)Cn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ccc34)c2CO1
InChIInChI=1S/C20H18FN5O/c1-20(2)11-26-16(10-27-20)17(13-5-7-22-19-14(13)6-8-23-19)18(25-26)15-4-3-12(21)9-24-15/h3-9H,10-11H2,1-2H3,(H,22,23)
InChIKeyCAKYUEIFEBIYBT-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.94
Rot. Bonds2

About 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760602) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
PubChem CID162760602
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCC1(C)Cn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ccc34)c2CO1
InChIInChI=1S/C20H18FN5O/c1-20(2)11-26-16(10-27-20)17(13-5-7-22-19-14(13)6-8-23-19)18(25-26)15-4-3-12(21)9-24-15/h3-9H,10-11H2,1-2H3,(H,22,23)
InChIKeyCAKYUEIFEBIYBT-UHFFFAOYSA-N
XLogP3.94
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine with MolForge

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Related Compounds

(2r,3s,5r)-2-(2,5-Difluorophenyl)-5-(7h-Pyrrolo[3',4':3,4]pyrazolo[1,5-A]pyrimidin-8(9h)-Yl)oxan-3-Amine
CID 24951732
2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760083
(2R)-2-[(2S)-4-[5-fluoro-3-(hydroxymethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 53354478
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
CID 155804434
(2R,3S,5R)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127050132
(2R,3S,5R)-5-(9-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127050761
(2R,3S,5R)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127051045
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)oxan-3-amine
CID 127052289
1-[6-(3-Methoxypiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine
CID 89914593
2-[[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137054927
US9725449, Example 362
CID 138403679
US10544143, Example 347
CID 138686642

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (CID 162760602) is 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is CC1(C)Cn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ccc34)c2CO1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The InChIKey is CAKYUEIFEBIYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-20(2)11-26-16(10-27-20)17(13-5-7-22-19-14(13)6-8-23-19)18(25-26)15-4-3-12(21)9-24-15/h3-9H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine has a molecular weight of 363.40 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).