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

C140H184Cl4F5N39 — CID 160928133

IUPAC4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
SMILESCCNC1CCC(Cc2ncc(Cl)c(-c3cnn(C)c3CC3CC3)n2)CC1.Cc1[nH]ncc1CNC1CCC(Cc2ncc(Cl)c(-c3cnn(C)c3CC3CC3)n2)CC1.Cn1ccc(-c2nc(CC3CCC(NCc4cn[nH]c4)CC3)ncc2F)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N(Cc4cn[nH]c4)CC(F)(F)F)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N(Cc4cn[nH]c4)Cc4cn[nH]c4)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N)CC3)ncc2F)c1CC1CC1
InChIInChI=1S/C27H34ClN9.C25H31ClF3N7.C24H32ClN7.C24H31FN6.C21H30ClN5.C19H26FN5/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;1-35-22(8-16-2-3-16)20(12-33-35)24-21(26)13-30-23(34-24)9-17-4-6-19(7-5-17)36(15-25(27,28)29)14-18-10-31-32-11-18;1-15-18(12-28-31-15)11-26-19-7-5-17(6-8-19)10-23-27-14-21(25)24(30-23)20-13-29-32(2)22(20)9-16-3-4-16;1-31-9-8-20(22(31)10-16-2-3-16)24-21(25)15-27-23(30-24)11-17-4-6-19(7-5-17)26-12-18-13-28-29-14-18;1-3-23-16-8-6-15(7-9-16)11-20-24-13-18(22)21(26-20)17-12-25-27(2)19(17)10-14-4-5-14;1-25-17(8-12-2-3-12)15(10-23-25)19-16(20)11-22-18(24-19)9-13-4-6-14(21)7-5-13/h10-15,18-19,22H,2-9,16-17H2,1H3,(H,30,31)(H,32,33);10-13,16-17,19H,2-9,14-15H2,1H3,(H,31,32);12-14,16-17,19,26H,3-11H2,1-2H3,(H,28,31);8-9,13-17,19,26H,2-7,10-12H2,1H3,(H,28,29);12-16,23H,3-11H2,1-2H3;10-14H,2-9,21H2,1H3
InChIKeySSXHGILTEKAYMX-UHFFFAOYSA-N
MW2650.09 g/mol
LogP25.92
Rot. Bonds47

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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine (PubChem CID 160928133) has the molecular formula C140H184Cl4F5N39 and a molecular weight of 2650.09 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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
PubChem CID160928133
Molecular FormulaC140H184Cl4F5N39
Molecular Weight2650.09 g/mol
Exact Mass2646.43
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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
SMILESCCNC1CCC(Cc2ncc(Cl)c(-c3cnn(C)c3CC3CC3)n2)CC1.Cc1[nH]ncc1CNC1CCC(Cc2ncc(Cl)c(-c3cnn(C)c3CC3CC3)n2)CC1.Cn1ccc(-c2nc(CC3CCC(NCc4cn[nH]c4)CC3)ncc2F)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N(Cc4cn[nH]c4)CC(F)(F)F)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N(Cc4cn[nH]c4)Cc4cn[nH]c4)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N)CC3)ncc2F)c1CC1CC1
InChIInChI=1S/C27H34ClN9.C25H31ClF3N7.C24H32ClN7.C24H31FN6.C21H30ClN5.C19H26FN5/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;1-35-22(8-16-2-3-16)20(12-33-35)24-21(26)13-30-23(34-24)9-17-4-6-19(7-5-17)36(15-25(27,28)29)14-18-10-31-32-11-18;1-15-18(12-28-31-15)11-26-19-7-5-17(6-8-19)10-23-27-14-21(25)24(30-23)20-13-29-32(2)22(20)9-16-3-4-16;1-31-9-8-20(22(31)10-16-2-3-16)24-21(25)15-27-23(30-24)11-17-4-6-19(7-5-17)26-12-18-13-28-29-14-18;1-3-23-16-8-6-15(7-9-16)11-20-24-13-18(22)21(26-20)17-12-25-27(2)19(17)10-14-4-5-14;1-25-17(8-12-2-3-12)15(10-23-25)19-16(20)11-22-18(24-19)9-13-4-6-14(21)7-5-13/h10-15,18-19,22H,2-9,16-17H2,1H3,(H,30,31)(H,32,33);10-13,16-17,19H,2-9,14-15H2,1H3,(H,31,32);12-14,16-17,19,26H,3-11H2,1-2H3,(H,28,31);8-9,13-17,19,26H,2-7,10-12H2,1H3,(H,28,29);12-16,23H,3-11H2,1-2H3;10-14H,2-9,21H2,1H3
InChIKeySSXHGILTEKAYMX-UHFFFAOYSA-N
XLogP25.92
TPSA460.70 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds47
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002650.09
LogP ≤ 525.92
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine with MolForge

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Related Compounds

3-[4-[4-(4,4-difluorocyclohexyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-[(2-fluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-[(3-fluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-[(4-fluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157147438
8-Chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-phenylpiperazin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 157499716
5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 157562477
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
1-tert-butyl-4-cyclohexylpiperazine;5-tert-butyl-2-cyclopropylpyridine;1-tert-butyl-3-fluorobenzene;4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;2-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-2-(piperidin-1-ylmethyl)pyridine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;1-[(5-tert-butyl-2-pyridinyl)methyl]-4-methylpiperazine;5-tert-butylpyrimidine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157860188
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
N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(4,5-dimethyl-6-phenyl-2-pyridinyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;molecular hydrogen
CID 158111940
6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine
CID 158176652
4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 158215760
2-(5-Chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine;3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
CID 158785902
8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 159203965
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

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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine (CID 160928133) 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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine is CCNC1CCC(Cc2ncc(Cl)c(-c3cnn(C)c3CC3CC3)n2)CC1.Cc1[nH]ncc1CNC1CCC(Cc2ncc(Cl)c(-c3cnn(C)c3CC3CC3)n2)CC1.Cn1ccc(-c2nc(CC3CCC(NCc4cn[nH]c4)CC3)ncc2F)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N(Cc4cn[nH]c4)CC(F)(F)F)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N(Cc4cn[nH]c4)Cc4cn[nH]c4)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(CC3CCC(N)CC3)ncc2F)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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is SSXHGILTEKAYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN9.C25H31ClF3N7.C24H32ClN7.C24H31FN6.C21H30ClN5.C19H26FN5/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;1-35-22(8-16-2-3-16)20(12-33-35)24-21(26)13-30-23(34-24)9-17-4-6-19(7-5-17)36(15-25(27,28)29)14-18-10-31-32-11-18;1-15-18(12-28-31-15)11-26-19-7-5-17(6-8-19)10-23-27-14-21(25)24(30-23)20-13-29-32(2)22(20)9-16-3-4-16;1-31-9-8-20(22(31)10-16-2-3-16)24-21(25)15-27-23(30-24)11-17-4-6-19(7-5-17)26-12-18-13-28-29-14-18;1-3-23-16-8-6-15(7-9-16)11-20-24-13-18(22)21(26-20)17-12-25-27(2)19(17)10-14-4-5-14;1-25-17(8-12-2-3-12)15(10-23-25)19-16(20)11-22-18(24-19)9-13-4-6-14(21)7-5-13/h10-15,18-19,22H,2-9,16-17H2,1H3,(H,30,31)(H,32,33);10-13,16-17,19H,2-9,14-15H2,1H3,(H,31,32);12-14,16-17,19,26H,3-11H2,1-2H3,(H,28,31);8-9,13-17,19,26H,2-7,10-12H2,1H3,(H,28,29);12-16,23H,3-11H2,1-2H3;10-14H,2-9,21H2,1H3.
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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 2650.09 g/mol, XLogP of 25.92, 47 rotatable bonds, 9 hydrogen bond donors, and 34 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;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;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 160928133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).