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

C19H17FN6O — CID 169305903

IUPAC(5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESC[C@@H]1C[C@@H](C)n2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ncc34)c2O1
InChIInChI=1S/C19H17FN6O/c1-10-7-11(2)27-19-16(13-5-6-21-18-14(13)9-23-24-18)17(25-26(10)19)15-4-3-12(20)8-22-15/h3-6,8-11H,7H2,1-2H3,(H,21,23,24)/t10-,11-/m1/s1
InChIKeyQHKYZAYMLAFQKM-GHMZBOCLSA-N
MW364.38 g/mol
LogP3.75
Rot. Bonds2

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

(5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 169305903) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is (5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID169305903
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name(5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESC[C@@H]1C[C@@H](C)n2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ncc34)c2O1
InChIInChI=1S/C19H17FN6O/c1-10-7-11(2)27-19-16(13-5-6-21-18-14(13)9-23-24-18)17(25-26(10)19)15-4-3-12(20)8-22-15/h3-6,8-11H,7H2,1-2H3,(H,21,23,24)/t10-,11-/m1/s1
InChIKeyQHKYZAYMLAFQKM-GHMZBOCLSA-N
XLogP3.75
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 169305903) is (5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is C[C@@H]1C[C@@H](C)n2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ncc34)c2O1.
What is the InChIKey of (5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is QHKYZAYMLAFQKM-GHMZBOCLSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-10-7-11(2)27-19-16(13-5-6-21-18-14(13)9-23-24-18)17(25-26(10)19)15-4-3-12(20)8-22-15/h3-6,8-11H,7H2,1-2H3,(H,21,23,24)/t10-,11-/m1/s1.
What are the key properties of (5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 364.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 169305903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).