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

C16H20FN3O — CID 169034144

IUPAC(5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cnc(F)c(-c2nn3c(c2C(C)C)O[C@H](C)CC3)c1
InChIInChI=1S/C16H20FN3O/c1-9(2)13-14(12-7-10(3)8-18-15(12)17)19-20-6-5-11(4)21-16(13)20/h7-9,11H,5-6H2,1-4H3/t11-/m1/s1
InChIKeyMWCUYSYELVMDNY-LLVKDONJSA-N
MW289.35 g/mol
LogP3.69
Rot. Bonds2

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

(5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 169034144) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID169034144
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cnc(F)c(-c2nn3c(c2C(C)C)O[C@H](C)CC3)c1
InChIInChI=1S/C16H20FN3O/c1-9(2)13-14(12-7-10(3)8-18-15(12)17)19-20-6-5-11(4)21-16(13)20/h7-9,11H,5-6H2,1-4H3/t11-/m1/s1
InChIKeyMWCUYSYELVMDNY-LLVKDONJSA-N
XLogP3.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 169034144) is (5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cc1cnc(F)c(-c2nn3c(c2C(C)C)O[C@H](C)CC3)c1.
What is the InChIKey of (5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is MWCUYSYELVMDNY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-9(2)13-14(12-7-10(3)8-18-15(12)17)19-20-6-5-11(4)21-16(13)20/h7-9,11H,5-6H2,1-4H3/t11-/m1/s1.
What are the key properties of (5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 289.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 169034144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).