2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile

C15H16N6O — CID 164859214

IUPAC2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cc3n(n2)CCO[C@]32CCNC2)cnc1N
InChIInChI=1S/C15H16N6O/c16-7-10-5-11(8-19-14(10)17)12-6-13-15(1-2-18-9-15)22-4-3-21(13)20-12/h5-6,8,18H,1-4,9H2,(H2,17,19)/t15-/m0/s1
InChIKeyHBVKYYPPKYOVGZ-HNNXBMFYSA-N
MW296.33 g/mol
LogP0.62
Rot. Bonds1

About 2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile

2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile (PubChem CID 164859214) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile
PubChem CID164859214
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cc3n(n2)CCO[C@]32CCNC2)cnc1N
InChIInChI=1S/C15H16N6O/c16-7-10-5-11(8-19-14(10)17)12-6-13-15(1-2-18-9-15)22-4-3-21(13)20-12/h5-6,8,18H,1-4,9H2,(H2,17,19)/t15-/m0/s1
InChIKeyHBVKYYPPKYOVGZ-HNNXBMFYSA-N
XLogP0.62
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile (CID 164859214) is 2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile is N#Cc1cc(-c2cc3n(n2)CCO[C@]32CCNC2)cnc1N.
What is the InChIKey of 2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile?
The InChIKey is HBVKYYPPKYOVGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N6O/c16-7-10-5-11(8-19-14(10)17)12-6-13-15(1-2-18-9-15)22-4-3-21(13)20-12/h5-6,8,18H,1-4,9H2,(H2,17,19)/t15-/m0/s1.
What are the key properties of 2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile?
2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4S)-spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 164859214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).