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

C20H19FN6O — CID 162760272

IUPAC2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCc1[nH]nc2nccc(-c3c(-c4ccc(F)cn4)nn4c3COC(C)(C)C4)c12
InChIInChI=1S/C20H19FN6O/c1-11-16-13(6-7-22-19(16)25-24-11)17-15-9-28-20(2,3)10-27(15)26-18(17)14-5-4-12(21)8-23-14/h4-8H,9-10H2,1-3H3,(H,22,24,25)
InChIKeyJPHMZKFOMUIDFL-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.64
Rot. Bonds2

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

2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760272) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(3-methyl-2H-pyrazolo[3,4-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-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
PubChem CID162760272
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCc1[nH]nc2nccc(-c3c(-c4ccc(F)cn4)nn4c3COC(C)(C)C4)c12
InChIInChI=1S/C20H19FN6O/c1-11-16-13(6-7-22-19(16)25-24-11)17-15-9-28-20(2,3)10-27(15)26-18(17)14-5-4-12(21)8-23-14/h4-8H,9-10H2,1-3H3,(H,22,24,25)
InChIKeyJPHMZKFOMUIDFL-UHFFFAOYSA-N
XLogP3.64
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(3-methyl-2H-pyrazolo[3,4-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-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (CID 162760272) is 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(3-methyl-2H-pyrazolo[3,4-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-(3-methyl-2H-pyrazolo[3,4-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-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is Cc1[nH]nc2nccc(-c3c(-c4ccc(F)cn4)nn4c3COC(C)(C)C4)c12.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The InChIKey is JPHMZKFOMUIDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-11-16-13(6-7-22-19(16)25-24-11)17-15-9-28-20(2,3)10-27(15)26-18(17)14-5-4-12(21)8-23-14/h4-8H,9-10H2,1-3H3,(H,22,24,25).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine has a molecular weight of 378.41 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).