2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone

C15H18N8O — CID 118911517

IUPAC2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone
SMILESCN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)CN=[N+]=[N-])CC12CC2
InChIInChI=1S/C15H18N8O/c1-22(14-10-2-5-17-13(10)18-9-19-14)11-7-23(8-15(11)3-4-15)12(24)6-20-21-16/h2,5,9,11H,3-4,6-8H2,1H3,(H,17,18,19)/t11-/m0/s1
InChIKeyXHYWZSFCPCGCCZ-NSHDSACASA-N
MW326.36 g/mol
LogP1.70
Rot. Bonds4

About 2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone

2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone (PubChem CID 118911517) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone.

Molecular Properties

Compound Name2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone
PubChem CID118911517
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone
SMILESCN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)CN=[N+]=[N-])CC12CC2
InChIInChI=1S/C15H18N8O/c1-22(14-10-2-5-17-13(10)18-9-19-14)11-7-23(8-15(11)3-4-15)12(24)6-20-21-16/h2,5,9,11H,3-4,6-8H2,1H3,(H,17,18,19)/t11-/m0/s1
InChIKeyXHYWZSFCPCGCCZ-NSHDSACASA-N
XLogP1.70
TPSA113.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone 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 2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone?
The IUPAC name of 2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone (CID 118911517) is 2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone.
What is the SMILES notation for 2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone?
The canonical SMILES for 2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone is CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)CN=[N+]=[N-])CC12CC2.
What is the InChIKey of 2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone?
The InChIKey is XHYWZSFCPCGCCZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N8O/c1-22(14-10-2-5-17-13(10)18-9-19-14)11-7-23(8-15(11)3-4-15)12(24)6-20-21-16/h2,5,9,11H,3-4,6-8H2,1H3,(H,17,18,19)/t11-/m0/s1.
What are the key properties of 2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone?
2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone has a molecular weight of 326.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]ethanone is sourced from PubChem (CID 118911517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).