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

C21H21FN6O — CID 162760581

IUPAC3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILESCCn1ncc2cc(-c3c(-c4ccc(F)cn4)nn4c3OCC(C)(C)C4)cnc21
InChIInChI=1S/C21H21FN6O/c1-4-27-19-14(9-25-27)7-13(8-24-19)17-18(16-6-5-15(22)10-23-16)26-28-11-21(2,3)12-29-20(17)28/h5-10H,4,11-12H2,1-3H3
InChIKeyBMKZLKJLVPYQSZ-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.93
Rot. Bonds3

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

3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (PubChem CID 162760581) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
PubChem CID162760581
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILESCCn1ncc2cc(-c3c(-c4ccc(F)cn4)nn4c3OCC(C)(C)C4)cnc21
InChIInChI=1S/C21H21FN6O/c1-4-27-19-14(9-25-27)7-13(8-24-19)17-18(16-6-5-15(22)10-23-16)26-28-11-21(2,3)12-29-20(17)28/h5-10H,4,11-12H2,1-3H3
InChIKeyBMKZLKJLVPYQSZ-UHFFFAOYSA-N
XLogP3.93
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-7-pyrazolo[1,5-a]pyridin-5-yl-3H-pyrazolo[5,1-b][1,3]oxazole
CID 162760557
7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole
CID 162760266
2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 169306126
2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole
CID 168867908
6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine
CID 169001921
3-(3-chloropyrazolo[1,5-a]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760138
3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 141348346
3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760429
3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine
CID 162760667
2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760133
6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-ol
CID 121208345
(6S)-2-(5-fluoro-2-pyridinyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169306013

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (CID 162760581) is 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is CCn1ncc2cc(-c3c(-c4ccc(F)cn4)nn4c3OCC(C)(C)C4)cnc21.
What is the InChIKey of 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The InChIKey is BMKZLKJLVPYQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-4-27-19-14(9-25-27)7-13(8-24-19)17-18(16-6-5-15(22)10-23-16)26-28-11-21(2,3)12-29-20(17)28/h5-10H,4,11-12H2,1-3H3.
What are the key properties of 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine has a molecular weight of 392.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 162760581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).