4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C12H15ClN4O2 — CID 130444092

IUPAC4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESNc1cc(Cl)c2n(c1=O)C1(CCC(N)CC1)NC2=O
InChIInChI=1S/C12H15ClN4O2/c13-7-5-8(15)11(19)17-9(7)10(18)16-12(17)3-1-6(14)2-4-12/h5-6H,1-4,14-15H2,(H,16,18)
InChIKeyQECDUKCHPQJITR-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.38
Rot. Bonds

About 4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 130444092) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID130444092
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESNc1cc(Cl)c2n(c1=O)C1(CCC(N)CC1)NC2=O
InChIInChI=1S/C12H15ClN4O2/c13-7-5-8(15)11(19)17-9(7)10(18)16-12(17)3-1-6(14)2-4-12/h5-6H,1-4,14-15H2,(H,16,18)
InChIKeyQECDUKCHPQJITR-UHFFFAOYSA-N
XLogP0.38
TPSA103.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-dichlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 162475151
N'-[(E)-[3-(6-amino-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonyl)cyclopentylidene]methyl]methanimidamide
CID 170360645
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598724
6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione
CID 118598915
6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane
CID 144985857
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118598654
6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118598694
N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598627
CID 130444088
CID 130444088
8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 178180699
8-chloro-6-[(6-methylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598712
8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118599046

Frequently Asked Questions

What is the IUPAC name of 4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 130444092) is 4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Nc1cc(Cl)c2n(c1=O)C1(CCC(N)CC1)NC2=O.
What is the InChIKey of 4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is QECDUKCHPQJITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c13-7-5-8(15)11(19)17-9(7)10(18)16-12(17)3-1-6(14)2-4-12/h5-6H,1-4,14-15H2,(H,16,18).
What are the key properties of 4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 282.73 g/mol, XLogP of 0.38, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 130444092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).