(3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

C13H18N4O2 — CID 135307387

IUPAC(3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESCc1cc(N)c(=O)n2c1C(=O)N[C@@]21CCCN(C)C1
InChIInChI=1S/C13H18N4O2/c1-8-6-9(14)12(19)17-10(8)11(18)15-13(17)4-3-5-16(2)7-13/h6H,3-5,7,14H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyHONBOWOIDDIQHS-ZDUSSCGKSA-N
MW262.31 g/mol
LogP-0.14
Rot. Bonds

About (3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

(3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (PubChem CID 135307387) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.

Molecular Properties

Compound Name(3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
PubChem CID135307387
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESCc1cc(N)c(=O)n2c1C(=O)N[C@@]21CCCN(C)C1
InChIInChI=1S/C13H18N4O2/c1-8-6-9(14)12(19)17-10(8)11(18)15-13(17)4-3-5-16(2)7-13/h6H,3-5,7,14H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyHONBOWOIDDIQHS-ZDUSSCGKSA-N
XLogP-0.14
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione with MolForge

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Related Compounds

6-bromo-8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598638
6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598938
6-amino-8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 132122257
6-amino-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 134382162
8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 144985924
8-fluoro-1',6-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 164943140
N'-[(Z)-1-amino-3-[[8-methyl-1,5-dioxo-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]but-1-enyl]methanimidamide
CID 162594658
(6,8-Dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone
CID 66585111
(5,6-Dimethyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-piperidin-1-ylmethanone
CID 66585129
6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 118598841
6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598878
6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598885

Frequently Asked Questions

What is the IUPAC name of (3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The IUPAC name of (3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (CID 135307387) is (3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.
What is the SMILES notation for (3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The canonical SMILES for (3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is Cc1cc(N)c(=O)n2c1C(=O)N[C@@]21CCCN(C)C1.
What is the InChIKey of (3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The InChIKey is HONBOWOIDDIQHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-6-9(14)12(19)17-10(8)11(18)15-13(17)4-3-5-16(2)7-13/h6H,3-5,7,14H2,1-2H3,(H,15,18)/t13-/m0/s1.
What are the key properties of (3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
(3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione has a molecular weight of 262.31 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-amino-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is sourced from PubChem (CID 135307387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).