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

C20H20ClN3O — CID 6616904

IUPAC9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
SMILESClc1ccc2c(c1)C1CC(c3cccnc3)=NN1C1(CCCCC1)O2
InChIInChI=1S/C20H20ClN3O/c21-15-6-7-19-16(11-15)18-12-17(14-5-4-10-22-13-14)23-24(18)20(25-19)8-2-1-3-9-20/h4-7,10-11,13,18H,1-3,8-9,12H2
InChIKeyPOSMVARYMICLNG-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.94
Rot. Bonds1

About 9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] (PubChem CID 6616904) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].

Molecular Properties

Compound Name9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
PubChem CID6616904
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
SMILESClc1ccc2c(c1)C1CC(c3cccnc3)=NN1C1(CCCCC1)O2
InChIInChI=1S/C20H20ClN3O/c21-15-6-7-19-16(11-15)18-12-17(14-5-4-10-22-13-14)23-24(18)20(25-19)8-2-1-3-9-20/h4-7,10-11,13,18H,1-3,8-9,12H2
InChIKeyPOSMVARYMICLNG-UHFFFAOYSA-N
XLogP4.94
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The IUPAC name of 9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] (CID 6616904) is 9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].
What is the SMILES notation for 9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The canonical SMILES for 9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] is Clc1ccc2c(c1)C1CC(c3cccnc3)=NN1C1(CCCCC1)O2.
What is the InChIKey of 9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
The InChIKey is POSMVARYMICLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-15-6-7-19-16(11-15)18-12-17(14-5-4-10-22-13-14)23-24(18)20(25-19)8-2-1-3-9-20/h4-7,10-11,13,18H,1-3,8-9,12H2.
What are the key properties of 9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?
9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] has a molecular weight of 353.85 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-pyridin-3-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] is sourced from PubChem (CID 6616904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).