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

C16H13FN4O — CID 162760473

IUPAC2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(-c2nn3c(c2-c2ccncc2)COCC3)nc1
InChIInChI=1S/C16H13FN4O/c17-12-1-2-13(19-9-12)16-15(11-3-5-18-6-4-11)14-10-22-8-7-21(14)20-16/h1-6,9H,7-8,10H2
InChIKeyOAXNFSANMRWTTO-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.68
Rot. Bonds2

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

2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760473) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID162760473
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(-c2nn3c(c2-c2ccncc2)COCC3)nc1
InChIInChI=1S/C16H13FN4O/c17-12-1-2-13(19-9-12)16-15(11-3-5-18-6-4-11)14-10-22-8-7-21(14)20-16/h1-6,9H,7-8,10H2
InChIKeyOAXNFSANMRWTTO-UHFFFAOYSA-N
XLogP2.68
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 162760473) is 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is Fc1ccc(-c2nn3c(c2-c2ccncc2)COCC3)nc1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is OAXNFSANMRWTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-12-1-2-13(19-9-12)16-15(11-3-5-18-6-4-11)14-10-22-8-7-21(14)20-16/h1-6,9H,7-8,10H2.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 296.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).