3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane

C15H18F2N4 — CID 154505925

IUPAC3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane
SMILESFC1(F)CNC12CCCC(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C15H18F2N4/c16-15(17)8-21-14(15)5-1-2-10(3-6-14)12-11-4-7-18-13(11)20-9-19-12/h4,7,9-10,21H,1-3,5-6,8H2,(H,18,19,20)
InChIKeyVZGJOCFYTUMUPP-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.98
Rot. Bonds1

About 3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane

3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane (PubChem CID 154505925) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane.

Molecular Properties

Compound Name3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane
PubChem CID154505925
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane
SMILESFC1(F)CNC12CCCC(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C15H18F2N4/c16-15(17)8-21-14(15)5-1-2-10(3-6-14)12-11-4-7-18-13(11)20-9-19-12/h4,7,9-10,21H,1-3,5-6,8H2,(H,18,19,20)
InChIKeyVZGJOCFYTUMUPP-UHFFFAOYSA-N
XLogP2.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane with MolForge

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Related Compounds

4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 166898093
N-(3,3-difluoropiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 145134213
4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175879528
N-(2-fluorocyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 126857850
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 77134589
4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 67251949
[3-cyclopropyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl] dihydrogen phosphate
CID 174645719
N-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155773580
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
4-[2-(2-cyclopentylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 25267714
4-[2-(2-cyclohexylphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 25268056
4-phenyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 171359910

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane?
The IUPAC name of 3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane (CID 154505925) is 3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane.
What is the SMILES notation for 3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane?
The canonical SMILES for 3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane is FC1(F)CNC12CCCC(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of 3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane?
The InChIKey is VZGJOCFYTUMUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c16-15(17)8-21-14(15)5-1-2-10(3-6-14)12-11-4-7-18-13(11)20-9-19-12/h4,7,9-10,21H,1-3,5-6,8H2,(H,18,19,20).
What are the key properties of 3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane?
3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane has a molecular weight of 292.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane is sourced from PubChem (CID 154505925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).