2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone

C16H13N5O2 — CID 71976700

IUPAC2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(-n2cccn2)ccn1)N1CCOc2ccncc21
InChIInChI=1S/C16H13N5O2/c22-16(20-8-9-23-15-3-5-17-11-14(15)20)13-10-12(2-6-18-13)21-7-1-4-19-21/h1-7,10-11H,8-9H2
InChIKeyKQLMIEIOPHYLGI-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.70
Rot. Bonds2

About 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone

2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone (PubChem CID 71976700) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone
PubChem CID71976700
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(-n2cccn2)ccn1)N1CCOc2ccncc21
InChIInChI=1S/C16H13N5O2/c22-16(20-8-9-23-15-3-5-17-11-14(15)20)13-10-12(2-6-18-13)21-7-1-4-19-21/h1-7,10-11H,8-9H2
InChIKeyKQLMIEIOPHYLGI-UHFFFAOYSA-N
XLogP1.70
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone?
The IUPAC name of 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone (CID 71976700) is 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone?
The canonical SMILES for 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone is O=C(c1cc(-n2cccn2)ccn1)N1CCOc2ccncc21.
What is the InChIKey of 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone?
The InChIKey is KQLMIEIOPHYLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c22-16(20-8-9-23-15-3-5-17-11-14(15)20)13-10-12(2-6-18-13)21-7-1-4-19-21/h1-7,10-11H,8-9H2.
What are the key properties of 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone?
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone has a molecular weight of 307.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 71976700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).