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

C20H19FN6O — CID 169305964

IUPAC(7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESC[C@H]1n2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ncc34)c2COC1(C)C
InChIInChI=1S/C20H19FN6O/c1-11-20(2,3)28-10-16-17(13-6-7-22-19-14(13)9-24-25-19)18(26-27(11)16)15-5-4-12(21)8-23-15/h4-9,11H,10H2,1-3H3,(H,22,24,25)/t11-/m1/s1
InChIKeyLUETZWQDZBTWIZ-LLVKDONJSA-N
MW378.41 g/mol
LogP3.89
Rot. Bonds2

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

(7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (PubChem CID 169305964) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is (7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
PubChem CID169305964
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name(7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESC[C@H]1n2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ncc34)c2COC1(C)C
InChIInChI=1S/C20H19FN6O/c1-11-20(2,3)28-10-16-17(13-6-7-22-19-14(13)9-24-25-19)18(26-27(11)16)15-5-4-12(21)8-23-15/h4-9,11H,10H2,1-3H3,(H,22,24,25)/t11-/m1/s1
InChIKeyLUETZWQDZBTWIZ-LLVKDONJSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(6R,7R)-2-(5-fluoro-2-pyridinyl)-6,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169306005
4,4-dideuterio-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-7H-pyrazolo[5,1-c][1,4]oxazine
CID 169305935
(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
6-cyclopropyl-2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169001904
4-[(6S)-6-(difluoromethoxymethyl)-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 175448891
(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
CID 174148933
CID 174148933
4-[2-(4-fluorophenyl)-5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760320
3-(3-bromo-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760310
3-[6-(difluoromethyl)-1H-pyrazolo[5,4-b]pyridin-4-yl]-2-(5-fluoro-2-pyridinyl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760335
4-[5-fluoro-2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 162760724
2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169001936

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of (7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (CID 169305964) is (7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for (7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for (7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is C[C@H]1n2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ncc34)c2COC1(C)C.
What is the InChIKey of (7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The InChIKey is LUETZWQDZBTWIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-11-20(2,3)28-10-16-17(13-6-7-22-19-14(13)9-24-25-19)18(26-27(11)16)15-5-4-12(21)8-23-15/h4-9,11H,10H2,1-3H3,(H,22,24,25)/t11-/m1/s1.
What are the key properties of (7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
(7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-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 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 169305964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).