2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H27N5O2 — CID 70723851

IUPAC2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(Cc3cc(=O)n4[nH]c(C)cc4n3)C2)CCC1=O
InChIInChI=1S/C19H27N5O2/c1-3-23-13-19(7-5-17(23)25)6-4-8-22(12-19)11-15-10-18(26)24-16(20-15)9-14(2)21-24/h9-10,21H,3-8,11-13H2,1-2H3
InChIKeyPGDXTUZYTNOAFF-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.56
Rot. Bonds3

About 2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70723851) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70723851
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(Cc3cc(=O)n4[nH]c(C)cc4n3)C2)CCC1=O
InChIInChI=1S/C19H27N5O2/c1-3-23-13-19(7-5-17(23)25)6-4-8-22(12-19)11-15-10-18(26)24-16(20-15)9-14(2)21-24/h9-10,21H,3-8,11-13H2,1-2H3
InChIKeyPGDXTUZYTNOAFF-UHFFFAOYSA-N
XLogP1.56
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70723851) is 2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCCN(Cc3cc(=O)n4[nH]c(C)cc4n3)C2)CCC1=O.
What is the InChIKey of 2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is PGDXTUZYTNOAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-23-13-19(7-5-17(23)25)6-4-8-22(12-19)11-15-10-18(26)24-16(20-15)9-14(2)21-24/h9-10,21H,3-8,11-13H2,1-2H3.
What are the key properties of 2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 357.46 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70723851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).