4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine

C144H186Cl5F4N35O — CID 160689738

IUPAC4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine
SMILESCCNC1CCC(Cc2ncc(Cl)c(-c3ccn(C)c3CC3CC3)n2)CC1.Cc1[nH]ncc1CNC1CCC(Cc2ncc(Cl)c(-c3ccn(C)c3CC3CC3)n2)CC1.Cn1ccc(-c2nc(CC3CCC(N(Cc4cn[nH]c4)CC(F)(F)F)CC3)ncc2Cl)c1CC1CC1.Cn1ccc(-c2nc(CC3CCC(N)CC3)ncc2F)c1CC1CC1.Cn1ccc(-c2nc(CC3CCC(NC(=O)c4cn[nH]c4)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N(Cc4cn[nH]c4)Cc4cn[nH]c4)CC3)ncc2Cl)c1CC1CC1
InChIInChI=1S/C27H34ClN9.C26H32ClF3N6.C25H33ClN6.C24H29ClN6O.C22H31ClN4.C20H27FN4/c1-36-25(8-18-2-3-18)23(14-34-36)27-24(28)15-29-26(35-27)9-19-4-6-22(7-5-19)37(16-20-10-30-31-11-20)17-21-12-32-33-13-21;1-35-9-8-21(23(35)10-17-2-3-17)25-22(27)14-31-24(34-25)11-18-4-6-20(7-5-18)36(16-26(28,29)30)15-19-12-32-33-13-19;1-16-19(14-29-31-16)13-27-20-7-5-18(6-8-20)12-24-28-15-22(26)25(30-24)21-9-10-32(2)23(21)11-17-3-4-17;1-31-9-8-19(21(31)10-15-2-3-15)23-20(25)14-26-22(30-23)11-16-4-6-18(7-5-16)29-24(32)17-12-27-28-13-17;1-3-24-17-8-6-16(7-9-17)13-21-25-14-19(23)22(26-21)18-10-11-27(2)20(18)12-15-4-5-15;1-25-9-8-16(18(25)10-13-2-3-13)20-17(21)12-23-19(24-20)11-14-4-6-15(22)7-5-14/h10-15,18-19,22H,2-9,16-17H2,1H3,(H,30,31)(H,32,33);8-9,12-14,17-18,20H,2-7,10-11,15-16H2,1H3,(H,32,33);9-10,14-15,17-18,20,27H,3-8,11-13H2,1-2H3,(H,29,31);8-9,12-16,18H,2-7,10-11H2,1H3,(H,27,28)(H,29,32);10-11,14-17,24H,3-9,12-13H2,1-2H3;8-9,12-15H,2-7,10-11,22H2,1H3
InChIKeyRPGCIWSLXAKGFK-UHFFFAOYSA-N
MW2676.57 g/mol
LogP28.50
Rot. Bonds46

About 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine

4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine (PubChem CID 160689738) has the molecular formula C144H186Cl5F4N35O and a molecular weight of 2676.57 g/mol. Its IUPAC name is 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine
PubChem CID160689738
Molecular FormulaC144H186Cl5F4N35O
Molecular Weight2676.57 g/mol
Exact Mass2672.40
IUPAC Name4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine
SMILESCCNC1CCC(Cc2ncc(Cl)c(-c3ccn(C)c3CC3CC3)n2)CC1.Cc1[nH]ncc1CNC1CCC(Cc2ncc(Cl)c(-c3ccn(C)c3CC3CC3)n2)CC1.Cn1ccc(-c2nc(CC3CCC(N(Cc4cn[nH]c4)CC(F)(F)F)CC3)ncc2Cl)c1CC1CC1.Cn1ccc(-c2nc(CC3CCC(N)CC3)ncc2F)c1CC1CC1.Cn1ccc(-c2nc(CC3CCC(NC(=O)c4cn[nH]c4)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N(Cc4cn[nH]c4)Cc4cn[nH]c4)CC3)ncc2Cl)c1CC1CC1
InChIInChI=1S/C27H34ClN9.C26H32ClF3N6.C25H33ClN6.C24H29ClN6O.C22H31ClN4.C20H27FN4/c1-36-25(8-18-2-3-18)23(14-34-36)27-24(28)15-29-26(35-27)9-19-4-6-22(7-5-19)37(16-20-10-30-31-11-20)17-21-12-32-33-13-21;1-35-9-8-21(23(35)10-17-2-3-17)25-22(27)14-31-24(34-25)11-18-4-6-20(7-5-18)36(16-26(28,29)30)15-19-12-32-33-13-19;1-16-19(14-29-31-16)13-27-20-7-5-18(6-8-20)12-24-28-15-22(26)25(30-24)21-9-10-32(2)23(21)11-17-3-4-17;1-31-9-8-19(21(31)10-15-2-3-15)23-20(25)14-26-22(30-23)11-16-4-6-18(7-5-16)29-24(32)17-12-27-28-13-17;1-3-24-17-8-6-16(7-9-17)13-21-25-14-19(23)22(26-21)18-10-11-27(2)20(18)12-15-4-5-15;1-25-9-8-16(18(25)10-13-2-3-13)20-17(21)12-23-19(24-20)11-14-4-6-15(22)7-5-14/h10-15,18-19,22H,2-9,16-17H2,1H3,(H,30,31)(H,32,33);8-9,12-14,17-18,20H,2-7,10-11,15-16H2,1H3,(H,32,33);9-10,14-15,17-18,20,27H,3-8,11-13H2,1-2H3,(H,29,31);8-9,12-16,18H,2-7,10-11H2,1H3,(H,27,28)(H,29,32);10-11,14-17,24H,3-9,12-13H2,1-2H3;8-9,12-15H,2-7,10-11,22H2,1H3
InChIKeyRPGCIWSLXAKGFK-UHFFFAOYSA-N
XLogP28.50
TPSA426.21 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds46
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002676.57
LogP ≤ 528.50
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

3-[(2R)-1-(6-chloro-3-iodo-2-pyridinyl)propan-2-yl]-2-cyclopropyl-8-(1-methylpyrazol-4-yl)isoquinolin-1-one;3-[(1S)-1-[(5-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;4-[(2R)-2-[2-cyclopropyl-8-(1-methylpyrazol-4-yl)-1-oxoisoquinolin-3-yl]propyl]-2-methylpyrimidine-5-carbonitrile;2-methyl-4-[(2R)-2-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]propyl]pyrimidine-5-carboxamide;8-(1-methylpyrazol-4-yl)-3-[(2R)-1-[6-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one
CID 157497577
5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-imidazol-1-ylcyclohexyl)methyl]pyrimidine;5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-pyrazol-1-ylcyclohexyl)methyl]pyrimidine;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]aniline;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;8-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]spiro[4.5]decan-3-one;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 157740783
5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-imidazol-1-ylcyclohexyl)methyl]pyrimidine;5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-pyrazol-1-ylcyclohexyl)methyl]pyrimidine;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]aniline;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-1-methylcyclohexan-1-amine;8-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]spiro[4.5]decan-3-one;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 158103083
2-chloro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-4-(trifluoromethyl)pyrrol-2-yl]-6-fluoro-2-pyridinyl]benzamide;N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-fluoro-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 158620504
2-(6-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrazol-1-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;bis(4-methyl-N-[2-(4-methylcyclohexyl)propan-2-yl]-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide)
CID 158859836
4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 159217390
2-amino-4-[(2R)-2-[2-cyclopropyl-8-(1-methylpyrazol-4-yl)-1-oxoisoquinolin-3-yl]propyl]pyrimidine-5-carbonitrile;3-[(2R)-1-(6-chloro-3-iodo-2-pyridinyl)propan-2-yl]-2-cyclopropyl-8-(1-methylpyrazol-4-yl)isoquinolin-1-one;3-[(1S)-1-[(5-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;2-methyl-4-[(2R)-2-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]propyl]pyrimidine-5-carboxamide;8-(1-methylpyrazol-4-yl)-3-[(2R)-1-[6-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one
CID 159257504
4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 159448285
2-amino-4-[(2R)-2-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]propyl]pyrimidine-5-carboxamide;3-[(2R)-1-(6-chloro-3-iodo-2-pyridinyl)propan-2-yl]-2-cyclopropyl-8-(1-methylpyrazol-4-yl)isoquinolin-1-one;3-[(1S)-1-[(5-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;4-[(2R)-2-[2-cyclopropyl-8-(1-methylpyrazol-4-yl)-1-oxoisoquinolin-3-yl]propyl]-2-methylpyrimidine-5-carbonitrile;8-(1-methylpyrazol-4-yl)-3-[(2R)-1-[6-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one
CID 160214041
4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 160378578
2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-ethylpiperidine-1-carboxamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidine-1-carboxamide;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide
CID 160530934
2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 160692374

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine (CID 160689738) is 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine is CCNC1CCC(Cc2ncc(Cl)c(-c3ccn(C)c3CC3CC3)n2)CC1.Cc1[nH]ncc1CNC1CCC(Cc2ncc(Cl)c(-c3ccn(C)c3CC3CC3)n2)CC1.Cn1ccc(-c2nc(CC3CCC(N(Cc4cn[nH]c4)CC(F)(F)F)CC3)ncc2Cl)c1CC1CC1.Cn1ccc(-c2nc(CC3CCC(N)CC3)ncc2F)c1CC1CC1.Cn1ccc(-c2nc(CC3CCC(NC(=O)c4cn[nH]c4)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N(Cc4cn[nH]c4)Cc4cn[nH]c4)CC3)ncc2Cl)c1CC1CC1.
What is the InChIKey of 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine?
The InChIKey is RPGCIWSLXAKGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN9.C26H32ClF3N6.C25H33ClN6.C24H29ClN6O.C22H31ClN4.C20H27FN4/c1-36-25(8-18-2-3-18)23(14-34-36)27-24(28)15-29-26(35-27)9-19-4-6-22(7-5-19)37(16-20-10-30-31-11-20)17-21-12-32-33-13-21;1-35-9-8-21(23(35)10-17-2-3-17)25-22(27)14-31-24(34-25)11-18-4-6-20(7-5-18)36(16-26(28,29)30)15-19-12-32-33-13-19;1-16-19(14-29-31-16)13-27-20-7-5-18(6-8-20)12-24-28-15-22(26)25(30-24)21-9-10-32(2)23(21)11-17-3-4-17;1-31-9-8-19(21(31)10-15-2-3-15)23-20(25)14-26-22(30-23)11-16-4-6-18(7-5-16)29-24(32)17-12-27-28-13-17;1-3-24-17-8-6-16(7-9-17)13-21-25-14-19(23)22(26-21)18-10-11-27(2)20(18)12-15-4-5-15;1-25-9-8-16(18(25)10-13-2-3-13)20-17(21)12-23-19(24-20)11-14-4-6-15(22)7-5-14/h10-15,18-19,22H,2-9,16-17H2,1H3,(H,30,31)(H,32,33);8-9,12-14,17-18,20H,2-7,10-11,15-16H2,1H3,(H,32,33);9-10,14-15,17-18,20,27H,3-8,11-13H2,1-2H3,(H,29,31);8-9,12-16,18H,2-7,10-11H2,1H3,(H,27,28)(H,29,32);10-11,14-17,24H,3-9,12-13H2,1-2H3;8-9,12-15H,2-7,10-11,22H2,1H3.
What are the key properties of 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine?
4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine has a molecular weight of 2676.57 g/mol, XLogP of 28.50, 46 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 160689738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).