4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

C26H25N3O — CID 3680900

IUPAC4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
SMILESc1ccc(C2CCC3(CC2)Oc2ccccc2C2CC(c4cccnc4)=NN23)cc1
InChIInChI=1S/C26H25N3O/c1-2-7-19(8-3-1)20-12-14-26(15-13-20)29-24(22-10-4-5-11-25(22)30-26)17-23(28-29)21-9-6-16-27-18-21/h1-11,16,18,20,24H,12-15,17H2
InChIKeyAXDPXUQHJWOGBM-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.68
Rot. Bonds2

About 4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] (PubChem CID 3680900) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].

Molecular Properties

Compound Name4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
PubChem CID3680900
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
SMILESc1ccc(C2CCC3(CC2)Oc2ccccc2C2CC(c4cccnc4)=NN23)cc1
InChIInChI=1S/C26H25N3O/c1-2-7-19(8-3-1)20-12-14-26(15-13-20)29-24(22-10-4-5-11-25(22)30-26)17-23(28-29)21-9-6-16-27-18-21/h1-11,16,18,20,24H,12-15,17H2
InChIKeyAXDPXUQHJWOGBM-UHFFFAOYSA-N
XLogP5.68
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] 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 4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The IUPAC name of 4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] (CID 3680900) is 4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].
What is the SMILES notation for 4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The canonical SMILES for 4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] is c1ccc(C2CCC3(CC2)Oc2ccccc2C2CC(c4cccnc4)=NN23)cc1.
What is the InChIKey of 4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The InChIKey is AXDPXUQHJWOGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-2-7-19(8-3-1)20-12-14-26(15-13-20)29-24(22-10-4-5-11-25(22)30-26)17-23(28-29)21-9-6-16-27-18-21/h1-11,16,18,20,24H,12-15,17H2.
What are the key properties of 4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] has a molecular weight of 395.51 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-phenyl-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] is sourced from PubChem (CID 3680900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).