[1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone

C16H23N5O2 — CID 172625223

IUPAC[1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCNC1CC2(C1)CN(C(=O)c1cnn3ccn(CCOC)c13)C2
InChIInChI=1S/C16H23N5O2/c1-17-12-7-16(8-12)10-20(11-16)15(22)13-9-18-21-4-3-19(14(13)21)5-6-23-2/h3-4,9,12,17H,5-8,10-11H2,1-2H3
InChIKeyYEGCGQPDFOBADJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.61
Rot. Bonds5

About [1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone

[1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 172625223) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID172625223
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name[1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCNC1CC2(C1)CN(C(=O)c1cnn3ccn(CCOC)c13)C2
InChIInChI=1S/C16H23N5O2/c1-17-12-7-16(8-12)10-20(11-16)15(22)13-9-18-21-4-3-19(14(13)21)5-6-23-2/h3-4,9,12,17H,5-8,10-11H2,1-2H3
InChIKeyYEGCGQPDFOBADJ-UHFFFAOYSA-N
XLogP0.61
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone (CID 172625223) is [1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone is CNC1CC2(C1)CN(C(=O)c1cnn3ccn(CCOC)c13)C2.
What is the InChIKey of [1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is YEGCGQPDFOBADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-17-12-7-16(8-12)10-20(11-16)15(22)13-9-18-21-4-3-19(14(13)21)5-6-23-2/h3-4,9,12,17H,5-8,10-11H2,1-2H3.
What are the key properties of [1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone?
[1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)imidazo[2,1-e]pyrazol-7-yl]-[6-(methylamino)-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 172625223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).