8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride

C16H17Cl2N5O2 — CID 118599046

IUPAC8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
SMILESCl.O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccncn1)c2=O
InChIInChI=1S/C16H16ClN5O2.ClH/c17-10-8-11(20-12-4-7-18-9-19-12)15(24)22-13(10)14(23)21-16(22)5-2-1-3-6-16;/h4,7-9H,1-3,5-6H2,(H,21,23)(H,18,19,20);1H
InChIKeyIFGGGRZWGWDWHQ-UHFFFAOYSA-N
MW382.25 g/mol
LogP2.82
Rot. Bonds2

About 8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride

8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride (PubChem CID 118599046) has the molecular formula C16H17Cl2N5O2 and a molecular weight of 382.25 g/mol. Its IUPAC name is 8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride.

Molecular Properties

Compound Name8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
PubChem CID118599046
Molecular FormulaC16H17Cl2N5O2
Molecular Weight382.25 g/mol
Exact Mass381.08
IUPAC Name8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
SMILESCl.O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccncn1)c2=O
InChIInChI=1S/C16H16ClN5O2.ClH/c17-10-8-11(20-12-4-7-18-9-19-12)15(24)22-13(10)14(23)21-16(22)5-2-1-3-6-16;/h4,7-9H,1-3,5-6H2,(H,21,23)(H,18,19,20);1H
InChIKeyIFGGGRZWGWDWHQ-UHFFFAOYSA-N
XLogP2.82
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1'-acetyl-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598994
8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598595
8-chloro-6-[(6-methylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598712
6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine
CID 159863204
1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 123564700
N-[2-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]-4-pyridinyl]cyclopropanecarboxamide
CID 178180701
8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane
CID 159985735
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
8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118599080
CID 130444088
CID 130444088
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
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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride?
The IUPAC name of 8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride (CID 118599046) is 8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride.
What is the SMILES notation for 8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride?
The canonical SMILES for 8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride is Cl.O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccncn1)c2=O.
What is the InChIKey of 8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride?
The InChIKey is IFGGGRZWGWDWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2.ClH/c17-10-8-11(20-12-4-7-18-9-19-12)15(24)22-13(10)14(23)21-16(22)5-2-1-3-6-16;/h4,7-9H,1-3,5-6H2,(H,21,23)(H,18,19,20);1H.
What are the key properties of 8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride?
8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride has a molecular weight of 382.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride is sourced from PubChem (CID 118599046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).