(6S)-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 98286132

IUPAC(6S)-2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1C[C@@]2(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/t19-/m0/s1
InChIKeyPGDXTUZYTNOAFF-IBGZPJMESA-N
MW357.46 g/mol
LogP1.56
Rot. Bonds3

About (6S)-2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-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 98286132) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (6S)-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 Name(6S)-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 CID98286132
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(6S)-2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1C[C@@]2(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/t19-/m0/s1
InChIKeyPGDXTUZYTNOAFF-IBGZPJMESA-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

Analyze (6S)-2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one 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 (6S)-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 (6S)-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 98286132) is (6S)-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 (6S)-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 (6S)-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 CCN1C[C@@]2(CCCN(Cc3cc(=O)n4[nH]c(C)cc4n3)C2)CCC1=O.
What is the InChIKey of (6S)-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-IBGZPJMESA-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/t19-/m0/s1.
What are the key properties of (6S)-2-ethyl-8-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-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 (6S)-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 98286132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).