potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride

C85H87Br2Cl6F10KN26O14 — CID 158231988

IUPACpotassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride
SMILESC.Cl.NC(=O)c1[nH]c(=O)c(Br)cc1Cl.Nc1cc(NC(=O)C2CC2)ncn1.Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCC(F)(F)CC2)NC3=O)ncn1.Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCC(F)(F)CC2)NC3=O)ncn1.O=C1CCC(F)(F)CC1.O=C1NC2(CCC(F)(F)CC2)n2c1c(Cl)cc(Br)c2=O.O=C1NC2(CCC(F)(F)CC2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O.[K+].[OH-]
InChIInChI=1S/C20H19ClF2N6O3.2C16H15ClF2N6O2.C12H10BrClF2N2O2.C8H10N4O.C6H4BrClN2O2.C6H8F2O.CH4.ClH.K.H2O/c21-11-7-12(26-13-8-14(25-9-24-13)27-16(30)10-1-2-10)18(32)29-15(11)17(31)28-20(29)5-3-19(22,23)4-6-20;2*17-8-5-9(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;13-6-5-7(14)8-9(19)17-12(18(8)10(6)20)3-1-11(15,16)2-4-12;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5;7-2-1-3(8)4(5(9)11)10-6(2)12;7-6(8)3-1-5(9)2-4-6;;;;/h7-10H,1-6H2,(H,28,31)(H2,24,25,26,27,30);2*5-7H,1-4H2,(H,24,26)(H3,20,21,22,23);5H,1-4H2,(H,17,19);3-5H,1-2H2,(H3,9,10,11,12,13);1H,(H2,9,11)(H,10,12);1-4H2;1H4;1H;;1H2/q;;;;;;;;;+1;/p-1
InChIKeyFHLWDMOGRBMVJG-UHFFFAOYSA-M
MW2298.40 g/mol
LogP11.25
Rot. Bonds11

About potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride

potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride (PubChem CID 158231988) has the molecular formula C85H87Br2Cl6F10KN26O14 and a molecular weight of 2298.40 g/mol. Its IUPAC name is potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride.

Molecular Properties

Compound Namepotassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride
PubChem CID158231988
Molecular FormulaC85H87Br2Cl6F10KN26O14
Molecular Weight2298.40 g/mol
Exact Mass2292.29
IUPAC Namepotassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride
SMILESC.Cl.NC(=O)c1[nH]c(=O)c(Br)cc1Cl.Nc1cc(NC(=O)C2CC2)ncn1.Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCC(F)(F)CC2)NC3=O)ncn1.Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCC(F)(F)CC2)NC3=O)ncn1.O=C1CCC(F)(F)CC1.O=C1NC2(CCC(F)(F)CC2)n2c1c(Cl)cc(Br)c2=O.O=C1NC2(CCC(F)(F)CC2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O.[K+].[OH-]
InChIInChI=1S/C20H19ClF2N6O3.2C16H15ClF2N6O2.C12H10BrClF2N2O2.C8H10N4O.C6H4BrClN2O2.C6H8F2O.CH4.ClH.K.H2O/c21-11-7-12(26-13-8-14(25-9-24-13)27-16(30)10-1-2-10)18(32)29-15(11)17(31)28-20(29)5-3-19(22,23)4-6-20;2*17-8-5-9(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;13-6-5-7(14)8-9(19)17-12(18(8)10(6)20)3-1-11(15,16)2-4-12;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5;7-2-1-3(8)4(5(9)11)10-6(2)12;7-6(8)3-1-5(9)2-4-6;;;;/h7-10H,1-6H2,(H,28,31)(H2,24,25,26,27,30);2*5-7H,1-4H2,(H,24,26)(H3,20,21,22,23);5H,1-4H2,(H,17,19);3-5H,1-2H2,(H3,9,10,11,12,13);1H,(H2,9,11)(H,10,12);1-4H2;1H4;1H;;1H2/q;;;;;;;;;+1;/p-1
InChIKeyFHLWDMOGRBMVJG-UHFFFAOYSA-M
XLogP11.25
TPSA602.89 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds11
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002298.40
LogP ≤ 511.25
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Analyze potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride?
The IUPAC name of potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride (CID 158231988) is potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride.
What is the SMILES notation for potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride?
The canonical SMILES for potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride is C.Cl.NC(=O)c1[nH]c(=O)c(Br)cc1Cl.Nc1cc(NC(=O)C2CC2)ncn1.Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCC(F)(F)CC2)NC3=O)ncn1.Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCC(F)(F)CC2)NC3=O)ncn1.O=C1CCC(F)(F)CC1.O=C1NC2(CCC(F)(F)CC2)n2c1c(Cl)cc(Br)c2=O.O=C1NC2(CCC(F)(F)CC2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O.[K+].[OH-].
What is the InChIKey of potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride?
The InChIKey is FHLWDMOGRBMVJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19ClF2N6O3.2C16H15ClF2N6O2.C12H10BrClF2N2O2.C8H10N4O.C6H4BrClN2O2.C6H8F2O.CH4.ClH.K.H2O/c21-11-7-12(26-13-8-14(25-9-24-13)27-16(30)10-1-2-10)18(32)29-15(11)17(31)28-20(29)5-3-19(22,23)4-6-20;2*17-8-5-9(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;13-6-5-7(14)8-9(19)17-12(18(8)10(6)20)3-1-11(15,16)2-4-12;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5;7-2-1-3(8)4(5(9)11)10-6(2)12;7-6(8)3-1-5(9)2-4-6;;;;/h7-10H,1-6H2,(H,28,31)(H2,24,25,26,27,30);2*5-7H,1-4H2,(H,24,26)(H3,20,21,22,23);5H,1-4H2,(H,17,19);3-5H,1-2H2,(H3,9,10,11,12,13);1H,(H2,9,11)(H,10,12);1-4H2;1H4;1H;;1H2/q;;;;;;;;;+1;/p-1.
What are the key properties of potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride?
potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride has a molecular weight of 2298.40 g/mol, XLogP of 11.25, 11 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione);N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;N-[6-[(8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;4,4-difluorocyclohexan-1-one;methane;hydroxide;hydrochloride is sourced from PubChem (CID 158231988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).