6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride

C16H17Cl2FN6O2 — CID 118598694

IUPAC6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
SMILESCl.Nc1ncnc(Nc2cc(Cl)c3n(c2=O)C2(CCCCC2)NC3=O)c1F
InChIInChI=1S/C16H16ClFN6O2.ClH/c17-8-6-9(22-13-10(18)12(19)20-7-21-13)15(26)24-11(8)14(25)23-16(24)4-2-1-3-5-16;/h6-7H,1-5H2,(H,23,25)(H3,19,20,21,22);1H
InChIKeyLVGVPYDRJWOKRL-UHFFFAOYSA-N
MW415.26 g/mol
LogP2.54
Rot. Bonds2

About 6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride

6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride (PubChem CID 118598694) has the molecular formula C16H17Cl2FN6O2 and a molecular weight of 415.26 g/mol. Its IUPAC name is 6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride.

Molecular Properties

Compound Name6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
PubChem CID118598694
Molecular FormulaC16H17Cl2FN6O2
Molecular Weight415.26 g/mol
Exact Mass414.08
IUPAC Name6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
SMILESCl.Nc1ncnc(Nc2cc(Cl)c3n(c2=O)C2(CCCCC2)NC3=O)c1F
InChIInChI=1S/C16H16ClFN6O2.ClH/c17-8-6-9(22-13-10(18)12(19)20-7-21-13)15(26)24-11(8)14(25)23-16(24)4-2-1-3-5-16;/h6-7H,1-5H2,(H,23,25)(H3,19,20,21,22);1H
InChIKeyLVGVPYDRJWOKRL-UHFFFAOYSA-N
XLogP2.54
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.26
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride with MolForge

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Related Compounds

6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride
CID 161314213
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
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
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
CID 130444088
CID 130444088
(3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 122634969
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
6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 139479919
6,8-dichlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 162475151
6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
CID 118598679
N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione;N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 163687140

Frequently Asked Questions

What is the IUPAC name of 6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride?
The IUPAC name of 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) is 6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride.
What is the SMILES notation for 6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride?
The canonical SMILES for 6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride is Cl.Nc1ncnc(Nc2cc(Cl)c3n(c2=O)C2(CCCCC2)NC3=O)c1F.
What is the InChIKey of 6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride?
The InChIKey is LVGVPYDRJWOKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN6O2.ClH/c17-8-6-9(22-13-10(18)12(19)20-7-21-13)15(26)24-11(8)14(25)23-16(24)4-2-1-3-5-16;/h6-7H,1-5H2,(H,23,25)(H3,19,20,21,22);1H.
What are the key properties of 6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride?
6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride has a molecular weight of 415.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride is sourced from PubChem (CID 118598694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).