2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C124H149Cl4F6N27O7 — CID 157455094

IUPAC2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCC(=O)Nc1nc(C)c2c(n1)CCN(C1CCC(CN)(c3cccc(Cl)c3)CC1)C2=O.Cc1cccc(C2(CN)CCC(N3CCn4c(nnc4C(F)(F)F)C3=O)CC2)c1.Cc1cccc(C2(CN)CCC(N3CCn4nc(C(F)(F)F)nc4C3=O)CC2)c1.Cc1nc(N)nc2c1C(=O)N(C1CCC(CN)(c3cccc(Cl)c3)CC1)CC2.NCC1(c2cccc(Cl)c2)CCC(N2CCc3ccccc3C2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCn3ncnc3C2=O)CC1
InChIInChI=1S/C23H28ClN5O2.C22H25ClN2O.C21H26ClN5O.2C20H24F3N5O.C18H22ClN5O/c1-14-20-19(28-22(26-14)27-15(2)30)8-11-29(21(20)31)18-6-9-23(13-25,10-7-18)16-4-3-5-17(24)12-16;23-18-6-3-5-17(14-18)22(15-24)11-8-19(9-12-22)25-13-10-16-4-1-2-7-20(16)21(25)26;1-13-18-17(26-20(24)25-13)7-10-27(19(18)28)16-5-8-21(12-23,9-6-16)14-3-2-4-15(22)11-14;1-13-3-2-4-14(11-13)19(12-24)7-5-15(6-8-19)27-9-10-28-16(17(27)29)25-26-18(28)20(21,22)23;1-13-3-2-4-14(11-13)19(12-24)7-5-15(6-8-19)27-9-10-28-16(17(27)29)25-18(26-28)20(21,22)23;19-14-3-1-2-13(10-14)18(11-20)6-4-15(5-7-18)23-8-9-24-16(17(23)25)21-12-22-24/h3-5,12,18H,6-11,13,25H2,1-2H3,(H,26,27,28,30);1-7,14,19H,8-13,15,24H2;2-4,11,16H,5-10,12,23H2,1H3,(H2,24,25,26);2*2-4,11,15H,5-10,12,24H2,1H3;1-3,10,12,15H,4-9,11,20H2
InChIKeyBTGJSRUMDQDVBF-UHFFFAOYSA-N
MW2385.54 g/mol
LogP18.30
Rot. Bonds19

About 2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one

2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 157455094) has the molecular formula C124H149Cl4F6N27O7 and a molecular weight of 2385.54 g/mol. Its IUPAC name is 2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID157455094
Molecular FormulaC124H149Cl4F6N27O7
Molecular Weight2385.54 g/mol
Exact Mass2382.08
IUPAC Name2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCC(=O)Nc1nc(C)c2c(n1)CCN(C1CCC(CN)(c3cccc(Cl)c3)CC1)C2=O.Cc1cccc(C2(CN)CCC(N3CCn4c(nnc4C(F)(F)F)C3=O)CC2)c1.Cc1cccc(C2(CN)CCC(N3CCn4nc(C(F)(F)F)nc4C3=O)CC2)c1.Cc1nc(N)nc2c1C(=O)N(C1CCC(CN)(c3cccc(Cl)c3)CC1)CC2.NCC1(c2cccc(Cl)c2)CCC(N2CCc3ccccc3C2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCn3ncnc3C2=O)CC1
InChIInChI=1S/C23H28ClN5O2.C22H25ClN2O.C21H26ClN5O.2C20H24F3N5O.C18H22ClN5O/c1-14-20-19(28-22(26-14)27-15(2)30)8-11-29(21(20)31)18-6-9-23(13-25,10-7-18)16-4-3-5-17(24)12-16;23-18-6-3-5-17(14-18)22(15-24)11-8-19(9-12-22)25-13-10-16-4-1-2-7-20(16)21(25)26;1-13-18-17(26-20(24)25-13)7-10-27(19(18)28)16-5-8-21(12-23,9-6-16)14-3-2-4-15(22)11-14;1-13-3-2-4-14(11-13)19(12-24)7-5-15(6-8-19)27-9-10-28-16(17(27)29)25-26-18(28)20(21,22)23;1-13-3-2-4-14(11-13)19(12-24)7-5-15(6-8-19)27-9-10-28-16(17(27)29)25-18(26-28)20(21,22)23;19-14-3-1-2-13(10-14)18(11-20)6-4-15(5-7-18)23-8-9-24-16(17(23)25)21-12-22-24/h3-5,12,18H,6-11,13,25H2,1-2H3,(H,26,27,28,30);1-7,14,19H,8-13,15,24H2;2-4,11,16H,5-10,12,23H2,1H3,(H2,24,25,26);2*2-4,11,15H,5-10,12,24H2,1H3;1-3,10,12,15H,4-9,11,20H2
InChIKeyBTGJSRUMDQDVBF-UHFFFAOYSA-N
XLogP18.30
TPSA476.79 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002385.54
LogP ≤ 518.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one with MolForge

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Related Compounds

7-[4-(Aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-cyclopropyl-2-(trifluoromethyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one;bis(7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one);bis(7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one);7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one
CID 157668973
N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]pyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]pyridazine-4-carboxamide;[1-[(3-chlorophenyl)methyl]-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]methanamine;[1-(3-chlorophenyl)-4-phenylcyclohex-3-en-1-yl]methanamine;[1-(3-chlorophenyl)-4-piperidin-1-ylcyclohexyl]methanamine;[1-(3-chlorophenyl)-4-pyridin-3-ylcyclohex-3-en-1-yl]methanamine
CID 158255165
3-[(1S)-1-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]ethyl]-2-(3-fluorophenyl)-8-(trifluoromethyl)isoquinolin-1-one;2-(3-fluorophenyl)-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-8-(trifluoromethyl)isoquinolin-1-one;2-(3-fluorophenyl)-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]-8-(trifluoromethyl)isoquinolin-1-one;2-phenyl-3-[(1S)-1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]-8-(trifluoromethyl)isoquinolin-1-one
CID 158348344
N-[(1S)-1-[8-chloro-2-(3,4-difluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-2-phenyl-8-(trifluoromethyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159678309
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 161387062
N-[(1S)-1-[8-chloro-2-(4-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-[8-chloro-2-(4-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]-3-methylpyrazine-2-carboxamide;8-chloro-3-[(1S)-1-(1-imidazo[1,2-b]pyridazin-3-ylethenylamino)ethyl]-2-phenylisoquinolin-1-one;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methylpyrazine-2-carboxamide
CID 158672822
7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[[2-(2-amino-3,4-dioxocyclobutyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 158823901
N-[(1S)-1-[8-chloro-2-(4-methylphenyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-methyl-N-[(1S)-1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazine-2-carboxamide
CID 159178611
2-amino-N-[1-(8-chloro-2-phenylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethanamine;2-[1-(8-chloro-2-phenylisoquinolin-2-ium-3-yl)ethyl]isoindole-1,3-dione;2-[1-(2,8-dichloroquinolin-3-yl)ethyl]isoindole-1,3-dione
CID 159420689
6-[2-(3-chlorophenyl)-3-pyridinyl]quinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 159601035
6-[2-(3-chlorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 159990489
N-[(1S)-1-[8-chloro-2-(4-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]-3-methylpyrazine-2-carboxamide;N-[(1S)-1-[8-chloro-2-(4-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-2-methyl-1-oxoisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 160015724

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 157455094) is 2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CC(=O)Nc1nc(C)c2c(n1)CCN(C1CCC(CN)(c3cccc(Cl)c3)CC1)C2=O.Cc1cccc(C2(CN)CCC(N3CCn4c(nnc4C(F)(F)F)C3=O)CC2)c1.Cc1cccc(C2(CN)CCC(N3CCn4nc(C(F)(F)F)nc4C3=O)CC2)c1.Cc1nc(N)nc2c1C(=O)N(C1CCC(CN)(c3cccc(Cl)c3)CC1)CC2.NCC1(c2cccc(Cl)c2)CCC(N2CCc3ccccc3C2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCn3ncnc3C2=O)CC1.
What is the InChIKey of 2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is BTGJSRUMDQDVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2.C22H25ClN2O.C21H26ClN5O.2C20H24F3N5O.C18H22ClN5O/c1-14-20-19(28-22(26-14)27-15(2)30)8-11-29(21(20)31)18-6-9-23(13-25,10-7-18)16-4-3-5-17(24)12-16;23-18-6-3-5-17(14-18)22(15-24)11-8-19(9-12-22)25-13-10-16-4-1-2-7-20(16)21(25)26;1-13-18-17(26-20(24)25-13)7-10-27(19(18)28)16-5-8-21(12-23,9-6-16)14-3-2-4-15(22)11-14;1-13-3-2-4-14(11-13)19(12-24)7-5-15(6-8-19)27-9-10-28-16(17(27)29)25-26-18(28)20(21,22)23;1-13-3-2-4-14(11-13)19(12-24)7-5-15(6-8-19)27-9-10-28-16(17(27)29)25-18(26-28)20(21,22)23;19-14-3-1-2-13(10-14)18(11-20)6-4-15(5-7-18)23-8-9-24-16(17(23)25)21-12-22-24/h3-5,12,18H,6-11,13,25H2,1-2H3,(H,26,27,28,30);1-7,14,19H,8-13,15,24H2;2-4,11,16H,5-10,12,23H2,1H3,(H2,24,25,26);2*2-4,11,15H,5-10,12,24H2,1H3;1-3,10,12,15H,4-9,11,20H2.
What are the key properties of 2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 2385.54 g/mol, XLogP of 18.30, 19 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3,4-dihydroisoquinolin-1-one;7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;N-[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl]acetamide;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-8-one;7-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 157455094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).