potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide

C128H155BrKN25O11 — CID 159633453

IUPACpotassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
SMILESCCc1c(N)ncnc1NC(=O)C1CC1.CCc1c(N)ncnc1Nc1cc(C)c2c(c1)C1(CCCCC1)NC2=O.CCc1c(N)ncnc1Nc1cc(C)c2c(c1)C1(CCCCC1)NC2=O.CCc1c(NC(=O)C2CC2)ncnc1Nc1cc(C)c2c(c1)C1(CCCCC1)N(Cc1ccc(OC)cc1)C2=O.CCc1c(NC(=O)C2CC2)ncnc1Nc1cc(C)c2c(c1)C1(CCCCC1)NC2=O.COc1ccc(CN2C(=O)c3c(C)cc(Br)cc3C23CCCCC3)cc1.[K+].[OH-]
InChIInChI=1S/C32H37N5O3.C24H29N5O2.C22H24BrNO2.2C20H25N5O.C10H14N4O.K.H2O/c1-4-25-28(33-19-34-29(25)36-30(38)22-10-11-22)35-23-16-20(2)27-26(17-23)32(14-6-5-7-15-32)37(31(27)39)18-21-8-12-24(40-3)13-9-21;1-3-17-20(25-13-26-21(17)28-22(30)15-7-8-15)27-16-11-14(2)19-18(12-16)24(29-23(19)31)9-5-4-6-10-24;1-15-12-17(23)13-19-20(15)21(25)24(22(19)10-4-3-5-11-22)14-16-6-8-18(26-2)9-7-16;2*1-3-14-17(21)22-11-23-18(14)24-13-9-12(2)16-15(10-13)20(25-19(16)26)7-5-4-6-8-20;1-2-7-8(11)12-5-13-9(7)14-10(15)6-3-4-6;;/h8-9,12-13,16-17,19,22H,4-7,10-11,14-15,18H2,1-3H3,(H2,33,34,35,36,38);11-13,15H,3-10H2,1-2H3,(H,29,31)(H2,25,26,27,28,30);6-9,12-13H,3-5,10-11,14H2,1-2H3;2*9-11H,3-8H2,1-2H3,(H,25,26)(H3,21,22,23,24);5-6H,2-4H2,1H3,(H3,11,12,13,14,15);;1H2/q;;;;;;+1;/p-1
InChIKeyMPKYVSJURPKAMS-UHFFFAOYSA-M
MW2338.81 g/mol
LogP21.14
Rot. Bonds25

About potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide

potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide (PubChem CID 159633453) has the molecular formula C128H155BrKN25O11 and a molecular weight of 2338.81 g/mol. Its IUPAC name is potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide.

Molecular Properties

Compound Namepotassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
PubChem CID159633453
Molecular FormulaC128H155BrKN25O11
Molecular Weight2338.81 g/mol
Exact Mass2336.12
IUPAC Namepotassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
SMILESCCc1c(N)ncnc1NC(=O)C1CC1.CCc1c(N)ncnc1Nc1cc(C)c2c(c1)C1(CCCCC1)NC2=O.CCc1c(N)ncnc1Nc1cc(C)c2c(c1)C1(CCCCC1)NC2=O.CCc1c(NC(=O)C2CC2)ncnc1Nc1cc(C)c2c(c1)C1(CCCCC1)N(Cc1ccc(OC)cc1)C2=O.CCc1c(NC(=O)C2CC2)ncnc1Nc1cc(C)c2c(c1)C1(CCCCC1)NC2=O.COc1ccc(CN2C(=O)c3c(C)cc(Br)cc3C23CCCCC3)cc1.[K+].[OH-]
InChIInChI=1S/C32H37N5O3.C24H29N5O2.C22H24BrNO2.2C20H25N5O.C10H14N4O.K.H2O/c1-4-25-28(33-19-34-29(25)36-30(38)22-10-11-22)35-23-16-20(2)27-26(17-23)32(14-6-5-7-15-32)37(31(27)39)18-21-8-12-24(40-3)13-9-21;1-3-17-20(25-13-26-21(17)28-22(30)15-7-8-15)27-16-11-14(2)19-18(12-16)24(29-23(19)31)9-5-4-6-10-24;1-15-12-17(23)13-19-20(15)21(25)24(22(19)10-4-3-5-11-22)14-16-6-8-18(26-2)9-7-16;2*1-3-14-17(21)22-11-23-18(14)24-13-9-12(2)16-15(10-13)20(25-19(16)26)7-5-4-6-8-20;1-2-7-8(11)12-5-13-9(7)14-10(15)6-3-4-6;;/h8-9,12-13,16-17,19,22H,4-7,10-11,14-15,18H2,1-3H3,(H2,33,34,35,36,38);11-13,15H,3-10H2,1-2H3,(H,29,31)(H2,25,26,27,28,30);6-9,12-13H,3-5,10-11,14H2,1-2H3;2*9-11H,3-8H2,1-2H3,(H,25,26)(H3,21,22,23,24);5-6H,2-4H2,1H3,(H3,11,12,13,14,15);;1H2/q;;;;;;+1;/p-1
InChIKeyMPKYVSJURPKAMS-UHFFFAOYSA-M
XLogP21.14
TPSA518.76 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002338.81
LogP ≤ 521.14
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Analyze potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide?
The IUPAC name of potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide (CID 159633453) is potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide.
What is the SMILES notation for potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide?
The canonical SMILES for potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide is CCc1c(N)ncnc1NC(=O)C1CC1.CCc1c(N)ncnc1Nc1cc(C)c2c(c1)C1(CCCCC1)NC2=O.CCc1c(N)ncnc1Nc1cc(C)c2c(c1)C1(CCCCC1)NC2=O.CCc1c(NC(=O)C2CC2)ncnc1Nc1cc(C)c2c(c1)C1(CCCCC1)N(Cc1ccc(OC)cc1)C2=O.CCc1c(NC(=O)C2CC2)ncnc1Nc1cc(C)c2c(c1)C1(CCCCC1)NC2=O.COc1ccc(CN2C(=O)c3c(C)cc(Br)cc3C23CCCCC3)cc1.[K+].[OH-].
What is the InChIKey of potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide?
The InChIKey is MPKYVSJURPKAMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H37N5O3.C24H29N5O2.C22H24BrNO2.2C20H25N5O.C10H14N4O.K.H2O/c1-4-25-28(33-19-34-29(25)36-30(38)22-10-11-22)35-23-16-20(2)27-26(17-23)32(14-6-5-7-15-32)37(31(27)39)18-21-8-12-24(40-3)13-9-21;1-3-17-20(25-13-26-21(17)28-22(30)15-7-8-15)27-16-11-14(2)19-18(12-16)24(29-23(19)31)9-5-4-6-10-24;1-15-12-17(23)13-19-20(15)21(25)24(22(19)10-4-3-5-11-22)14-16-6-8-18(26-2)9-7-16;2*1-3-14-17(21)22-11-23-18(14)24-13-9-12(2)16-15(10-13)20(25-19(16)26)7-5-4-6-8-20;1-2-7-8(11)12-5-13-9(7)14-10(15)6-3-4-6;;/h8-9,12-13,16-17,19,22H,4-7,10-11,14-15,18H2,1-3H3,(H2,33,34,35,36,38);11-13,15H,3-10H2,1-2H3,(H,29,31)(H2,25,26,27,28,30);6-9,12-13H,3-5,10-11,14H2,1-2H3;2*9-11H,3-8H2,1-2H3,(H,25,26)(H3,21,22,23,24);5-6H,2-4H2,1H3,(H3,11,12,13,14,15);;1H2/q;;;;;;+1;/p-1.
What are the key properties of potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide?
potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide has a molecular weight of 2338.81 g/mol, XLogP of 21.14, 25 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;bis(5-[(6-amino-5-ethylpyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-ethylpyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-ethyl-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-ethyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide is sourced from PubChem (CID 159633453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).