2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C19H16FN5O — CID 168867959

IUPAC2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC1COc2c(-c3ccnc4[nH]ncc34)c(-c3ccc(F)cc3)nn2C1
InChIInChI=1S/C19H16FN5O/c1-11-9-25-19(26-10-11)16(14-6-7-21-18-15(14)8-22-23-18)17(24-25)12-2-4-13(20)5-3-12/h2-8,11H,9-10H2,1H3,(H,21,22,23)
InChIKeyIVYBRTYKWKVPRP-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.66
Rot. Bonds2

About 2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 168867959) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID168867959
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC1COc2c(-c3ccnc4[nH]ncc34)c(-c3ccc(F)cc3)nn2C1
InChIInChI=1S/C19H16FN5O/c1-11-9-25-19(26-10-11)16(14-6-7-21-18-15(14)8-22-23-18)17(24-25)12-2-4-13(20)5-3-12/h2-8,11H,9-10H2,1H3,(H,21,22,23)
InChIKeyIVYBRTYKWKVPRP-UHFFFAOYSA-N
XLogP3.66
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 168867938
(6R)-6-(fluoromethyl)-2-(4-fluorophenyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169305874
4-[2-(4-fluorophenyl)-5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760320
4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760469
2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 162760250
(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
(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
(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
2-(4-fluorophenyl)-7-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169001953
4-[2-(3,5-difluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760287

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 168867959) is 2-(4-fluorophenyl)-6-methyl-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 2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC1COc2c(-c3ccnc4[nH]ncc34)c(-c3ccc(F)cc3)nn2C1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is IVYBRTYKWKVPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-11-9-25-19(26-10-11)16(14-6-7-21-18-15(14)8-22-23-18)17(24-25)12-2-4-13(20)5-3-12/h2-8,11H,9-10H2,1H3,(H,21,22,23).
What are the key properties of 2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
2-(4-fluorophenyl)-6-methyl-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 349.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-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 168867959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).