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

C20H19FN6O — CID 162760334

IUPAC2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(2-methylpyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCn1cc2c(-c3c(-c4ccc(F)cn4)nn4c3COC(C)(C)C4)ccnc2n1
InChIInChI=1S/C20H19FN6O/c1-20(2)11-27-16(10-28-20)17(18(24-27)15-5-4-12(21)8-23-15)13-6-7-22-19-14(13)9-26(3)25-19/h4-9H,10-11H2,1-3H3
InChIKeyMNCAUYFDXJSKPL-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.34
Rot. Bonds2

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

2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(2-methylpyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760334) 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-(2-methylpyrazolo[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-(2-methylpyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
PubChem CID162760334
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(2-methylpyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCn1cc2c(-c3c(-c4ccc(F)cn4)nn4c3COC(C)(C)C4)ccnc2n1
InChIInChI=1S/C20H19FN6O/c1-20(2)11-27-16(10-28-20)17(18(24-27)15-5-4-12(21)8-23-15)13-6-7-22-19-14(13)9-26(3)25-19/h4-9H,10-11H2,1-3H3
InChIKeyMNCAUYFDXJSKPL-UHFFFAOYSA-N
XLogP3.34
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(2-methylpyrazolo[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-(2-methylpyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (CID 162760334) is 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(2-methylpyrazolo[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-(2-methylpyrazolo[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-(2-methylpyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is Cn1cc2c(-c3c(-c4ccc(F)cn4)nn4c3COC(C)(C)C4)ccnc2n1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(2-methylpyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The InChIKey is MNCAUYFDXJSKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-20(2)11-27-16(10-28-20)17(18(24-27)15-5-4-12(21)8-23-15)13-6-7-22-19-14(13)9-26(3)25-19/h4-9H,10-11H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(2-methylpyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(2-methylpyrazolo[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 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(2-methylpyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).