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

C16H16Cl2F2N6O2 — CID 118598654

IUPAC6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
SMILESCl.Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCC(F)(F)CC2)NC3=O)ncn1
InChIInChI=1S/C16H15ClF2N6O2.ClH/c17-8-5-9(23-11-6-10(20)21-7-22-11)14(27)25-12(8)13(26)24-16(25)3-1-15(18,19)2-4-16;/h5-7H,1-4H2,(H,24,26)(H3,20,21,22,23);1H
InChIKeyGOFICEHEAZMMDF-UHFFFAOYSA-N
MW433.25 g/mol
LogP2.64
Rot. Bonds2

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

6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride (PubChem CID 118598654) has the molecular formula C16H16Cl2F2N6O2 and a molecular weight of 433.25 g/mol. Its IUPAC name is 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride.

Molecular Properties

Compound Name6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
PubChem CID118598654
Molecular FormulaC16H16Cl2F2N6O2
Molecular Weight433.25 g/mol
Exact Mass432.07
IUPAC Name6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
SMILESCl.Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCC(F)(F)CC2)NC3=O)ncn1
InChIInChI=1S/C16H15ClF2N6O2.ClH/c17-8-5-9(23-11-6-10(20)21-7-22-11)14(27)25-12(8)13(26)24-16(25)3-1-15(18,19)2-4-16;/h5-7H,1-4H2,(H,24,26)(H3,20,21,22,23);1H
InChIKeyGOFICEHEAZMMDF-UHFFFAOYSA-N
XLogP2.64
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride?
The IUPAC name of 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) is 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride.
What is the SMILES notation for 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride?
The canonical SMILES for 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride is Cl.Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCC(F)(F)CC2)NC3=O)ncn1.
What is the InChIKey of 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride?
The InChIKey is GOFICEHEAZMMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N6O2.ClH/c17-8-5-9(23-11-6-10(20)21-7-22-11)14(27)25-12(8)13(26)24-16(25)3-1-15(18,19)2-4-16;/h5-7H,1-4H2,(H,24,26)(H3,20,21,22,23);1H.
What are the key properties of 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride?
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride has a molecular weight of 433.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride is sourced from PubChem (CID 118598654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).