(5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane

C21H25N5 — CID 95211797

IUPAC(5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESc1ccc(-c2nc3ncccn3c2CN2CCC[C@@]3(CCNC3)C2)cc1
InChIInChI=1S/C21H25N5/c1-2-6-17(7-3-1)19-18(26-13-5-10-23-20(26)24-19)14-25-12-4-8-21(16-25)9-11-22-15-21/h1-3,5-7,10,13,22H,4,8-9,11-12,14-16H2/t21-/m0/s1
InChIKeyHALVOMWADJUDOR-NRFANRHFSA-N
MW347.47 g/mol
LogP2.97
Rot. Bonds3

About (5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane

(5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 95211797) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is (5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID95211797
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name(5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESc1ccc(-c2nc3ncccn3c2CN2CCC[C@@]3(CCNC3)C2)cc1
InChIInChI=1S/C21H25N5/c1-2-6-17(7-3-1)19-18(26-13-5-10-23-20(26)24-19)14-25-12-4-8-21(16-25)9-11-22-15-21/h1-3,5-7,10,13,22H,4,8-9,11-12,14-16H2/t21-/m0/s1
InChIKeyHALVOMWADJUDOR-NRFANRHFSA-N
XLogP2.97
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane 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 (5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane (CID 95211797) is (5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane is c1ccc(-c2nc3ncccn3c2CN2CCC[C@@]3(CCNC3)C2)cc1.
What is the InChIKey of (5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is HALVOMWADJUDOR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N5/c1-2-6-17(7-3-1)19-18(26-13-5-10-23-20(26)24-19)14-25-12-4-8-21(16-25)9-11-22-15-21/h1-3,5-7,10,13,22H,4,8-9,11-12,14-16H2/t21-/m0/s1.
What are the key properties of (5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane?
(5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 347.47 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 95211797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).