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

C19H16FN5O — CID 162760383

IUPAC(4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESC[C@H]1OCCn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ccc34)c21
InChIInChI=1S/C19H16FN5O/c1-11-18-16(13-4-6-21-19-14(13)5-7-22-19)17(24-25(18)8-9-26-11)15-3-2-12(20)10-23-15/h2-7,10-11H,8-9H2,1H3,(H,21,22)/t11-/m1/s1
InChIKeyWLZUEXAWEAXSDA-LLVKDONJSA-N
MW349.37 g/mol
LogP3.72
Rot. Bonds2

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

(4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760383) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is (4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID162760383
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name(4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESC[C@H]1OCCn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ccc34)c21
InChIInChI=1S/C19H16FN5O/c1-11-18-16(13-4-6-21-19-14(13)5-7-22-19)17(24-25(18)8-9-26-11)15-3-2-12(20)10-23-15/h2-7,10-11H,8-9H2,1H3,(H,21,22)/t11-/m1/s1
InChIKeyWLZUEXAWEAXSDA-LLVKDONJSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of (4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 162760383) is (4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for (4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for (4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is C[C@H]1OCCn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ccc34)c21.
What is the InChIKey of (4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is WLZUEXAWEAXSDA-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-11-18-16(13-4-6-21-19-14(13)5-7-22-19)17(24-25(18)8-9-26-11)15-3-2-12(20)10-23-15/h2-7,10-11H,8-9H2,1H3,(H,21,22)/t11-/m1/s1.
What are the key properties of (4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
(4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 349.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).