2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C21H17N3O — CID 3131175

IUPAC2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESc1ccc(C2=NN3C(C2)c2ccccc2OC3c2cccnc2)cc1
InChIInChI=1S/C21H17N3O/c1-2-7-15(8-3-1)18-13-19-17-10-4-5-11-20(17)25-21(24(19)23-18)16-9-6-12-22-14-16/h1-12,14,19,21H,13H2
InChIKeyLKOBDBGCQQSYIZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.32
Rot. Bonds2

About 2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 3131175) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID3131175
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESc1ccc(C2=NN3C(C2)c2ccccc2OC3c2cccnc2)cc1
InChIInChI=1S/C21H17N3O/c1-2-7-15(8-3-1)18-13-19-17-10-4-5-11-20(17)25-21(24(19)23-18)16-9-6-12-22-14-16/h1-12,14,19,21H,13H2
InChIKeyLKOBDBGCQQSYIZ-UHFFFAOYSA-N
XLogP4.32
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 3131175) is 2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is c1ccc(C2=NN3C(C2)c2ccccc2OC3c2cccnc2)cc1.
What is the InChIKey of 2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is LKOBDBGCQQSYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-2-7-15(8-3-1)18-13-19-17-10-4-5-11-20(17)25-21(24(19)23-18)16-9-6-12-22-14-16/h1-12,14,19,21H,13H2.
What are the key properties of 2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 327.39 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 3131175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).