N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine

C219H200BrClFN45O7 — CID 160545126

IUPACN-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine
SMILESCOC(=O)Cc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)cc1.COc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)cc1.COc1ccccc1Cc1nccc(Nc2ccc3[nH]c(C)cc3c2)n1.Cc1cc2cc(Nc3ccnc(Cc4ccc(F)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(OCCN5CCOCC5)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc5[nH]ncc5c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc5nc[nH]c5c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4Br)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4Cl)n3)ccc2[nH]1
InChIInChI=1S/C26H29N5O2.C26H22N4O.C23H22N4O2.2C21H18N6.2C21H20N4O.C20H17BrN4.C20H17ClN4.C20H17FN4/c1-19-16-21-18-22(4-7-24(21)28-19)29-25-8-9-27-26(30-25)17-20-2-5-23(6-3-20)33-15-12-31-10-13-32-14-11-31;1-18-15-20-17-21(9-12-24(20)28-18)29-25-13-14-27-26(30-25)16-19-7-10-23(11-8-19)31-22-5-3-2-4-6-22;1-15-11-18-14-19(7-8-20(18)25-15)26-21-9-10-24-22(27-21)12-16-3-5-17(6-4-16)13-23(28)29-2;1-13-8-15-11-17(3-5-18(15)24-13)25-20-6-7-22-21(26-20)10-14-2-4-19-16(9-14)12-23-27-19;1-13-8-15-11-16(3-5-17(15)25-13)26-20-6-7-22-21(27-20)10-14-2-4-18-19(9-14)24-12-23-18;1-14-11-16-13-17(5-8-19(16)23-14)24-20-9-10-22-21(25-20)12-15-3-6-18(26-2)7-4-15;1-14-11-16-12-17(7-8-18(16)23-14)24-20-9-10-22-21(25-20)13-15-5-3-4-6-19(15)26-2;2*1-13-10-15-11-16(6-7-18(15)23-13)24-19-8-9-22-20(25-19)12-14-4-2-3-5-17(14)21;1-13-10-15-12-17(6-7-18(15)23-13)24-19-8-9-22-20(25-19)11-14-2-4-16(21)5-3-14/h2-9,16,18,28H,10-15,17H2,1H3,(H,27,29,30);2-15,17,28H,16H2,1H3,(H,27,29,30);3-11,14,25H,12-13H2,1-2H3,(H,24,26,27);2-9,11-12,24H,10H2,1H3,(H,23,27)(H,22,25,26);2-9,11-12,25H,10H2,1H3,(H,23,24)(H,22,26,27);3-11,13,23H,12H2,1-2H3,(H,22,24,25);3-12,23H,13H2,1-2H3,(H,22,24,25);2*2-11,23H,12H2,1H3,(H,22,24,25);2-10,12,23H,11H2,1H3,(H,22,24,25)
InChIKeyQXHYXMHPVJAJDG-UHFFFAOYSA-N
MW3708.67 g/mol
LogP48.55
Rot. Bonds50

About N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine

N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine (PubChem CID 160545126) has the molecular formula C219H200BrClFN45O7 and a molecular weight of 3708.67 g/mol. Its IUPAC name is N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine
PubChem CID160545126
Molecular FormulaC219H200BrClFN45O7
Molecular Weight3708.67 g/mol
Exact Mass3704.55
IUPAC NameN-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine
SMILESCOC(=O)Cc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)cc1.COc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)cc1.COc1ccccc1Cc1nccc(Nc2ccc3[nH]c(C)cc3c2)n1.Cc1cc2cc(Nc3ccnc(Cc4ccc(F)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(OCCN5CCOCC5)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc5[nH]ncc5c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc5nc[nH]c5c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4Br)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4Cl)n3)ccc2[nH]1
InChIInChI=1S/C26H29N5O2.C26H22N4O.C23H22N4O2.2C21H18N6.2C21H20N4O.C20H17BrN4.C20H17ClN4.C20H17FN4/c1-19-16-21-18-22(4-7-24(21)28-19)29-25-8-9-27-26(30-25)17-20-2-5-23(6-3-20)33-15-12-31-10-13-32-14-11-31;1-18-15-20-17-21(9-12-24(20)28-18)29-25-13-14-27-26(30-25)16-19-7-10-23(11-8-19)31-22-5-3-2-4-6-22;1-15-11-18-14-19(7-8-20(18)25-15)26-21-9-10-24-22(27-21)12-16-3-5-17(6-4-16)13-23(28)29-2;1-13-8-15-11-17(3-5-18(15)24-13)25-20-6-7-22-21(26-20)10-14-2-4-19-16(9-14)12-23-27-19;1-13-8-15-11-16(3-5-17(15)25-13)26-20-6-7-22-21(27-20)10-14-2-4-18-19(9-14)24-12-23-18;1-14-11-16-13-17(5-8-19(16)23-14)24-20-9-10-22-21(25-20)12-15-3-6-18(26-2)7-4-15;1-14-11-16-12-17(7-8-18(16)23-14)24-20-9-10-22-21(25-20)13-15-5-3-4-6-19(15)26-2;2*1-13-10-15-11-16(6-7-18(15)23-13)24-19-8-9-22-20(25-19)12-14-4-2-3-5-17(14)21;1-13-10-15-12-17(6-7-18(15)23-13)24-19-8-9-22-20(25-19)11-14-2-4-16(21)5-3-14/h2-9,16,18,28H,10-15,17H2,1H3,(H,27,29,30);2-15,17,28H,16H2,1H3,(H,27,29,30);3-11,14,25H,12-13H2,1-2H3,(H,24,26,27);2-9,11-12,24H,10H2,1H3,(H,23,27)(H,22,25,26);2-9,11-12,25H,10H2,1H3,(H,23,24)(H,22,26,27);3-11,13,23H,12H2,1-2H3,(H,22,24,25);3-12,23H,13H2,1-2H3,(H,22,24,25);2*2-11,23H,12H2,1H3,(H,22,24,25);2-10,12,23H,11H2,1H3,(H,22,24,25)
InChIKeyQXHYXMHPVJAJDG-UHFFFAOYSA-N
XLogP48.55
TPSA669.05 Ų
H-Bond Donors22
H-Bond Acceptors40
Rotatable Bonds50
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003708.67
LogP ≤ 548.55
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1040

Analyze N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine with MolForge

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Related Compounds

1-(2-amino-6-chloro-3-pyridinyl)-3-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]propan-2-one;4-bromo-1H-indazole;5-chloro-2-[[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]methyl]-1H-imidazo[4,5-b]pyridine;(2-chloro-4-methoxyphenyl)boronic acid;4-(2-chloro-4-methoxyphenyl)-1H-indazole;ethyl 2-[4-(2-chloro-4-methoxyphenyl)indazol-2-yl]acetate
CID 157100550
4-Bromo-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-chloro-12-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-chloro-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-fluoro-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-methoxy-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;1-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]pentan-2-one
CID 157298152
N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine
CID 158558938

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine?
The IUPAC name of N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine (CID 160545126) is N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine.
What is the SMILES notation for N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine?
The canonical SMILES for N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine is COC(=O)Cc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)cc1.COc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)cc1.COc1ccccc1Cc1nccc(Nc2ccc3[nH]c(C)cc3c2)n1.Cc1cc2cc(Nc3ccnc(Cc4ccc(F)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(OCCN5CCOCC5)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc5[nH]ncc5c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc5nc[nH]c5c4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4Br)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4Cl)n3)ccc2[nH]1.
What is the InChIKey of N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine?
The InChIKey is QXHYXMHPVJAJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2.C26H22N4O.C23H22N4O2.2C21H18N6.2C21H20N4O.C20H17BrN4.C20H17ClN4.C20H17FN4/c1-19-16-21-18-22(4-7-24(21)28-19)29-25-8-9-27-26(30-25)17-20-2-5-23(6-3-20)33-15-12-31-10-13-32-14-11-31;1-18-15-20-17-21(9-12-24(20)28-18)29-25-13-14-27-26(30-25)16-19-7-10-23(11-8-19)31-22-5-3-2-4-6-22;1-15-11-18-14-19(7-8-20(18)25-15)26-21-9-10-24-22(27-21)12-16-3-5-17(6-4-16)13-23(28)29-2;1-13-8-15-11-17(3-5-18(15)24-13)25-20-6-7-22-21(26-20)10-14-2-4-19-16(9-14)12-23-27-19;1-13-8-15-11-16(3-5-17(15)25-13)26-20-6-7-22-21(27-20)10-14-2-4-18-19(9-14)24-12-23-18;1-14-11-16-13-17(5-8-19(16)23-14)24-20-9-10-22-21(25-20)12-15-3-6-18(26-2)7-4-15;1-14-11-16-12-17(7-8-18(16)23-14)24-20-9-10-22-21(25-20)13-15-5-3-4-6-19(15)26-2;2*1-13-10-15-11-16(6-7-18(15)23-13)24-19-8-9-22-20(25-19)12-14-4-2-3-5-17(14)21;1-13-10-15-12-17(6-7-18(15)23-13)24-19-8-9-22-20(25-19)11-14-2-4-16(21)5-3-14/h2-9,16,18,28H,10-15,17H2,1H3,(H,27,29,30);2-15,17,28H,16H2,1H3,(H,27,29,30);3-11,14,25H,12-13H2,1-2H3,(H,24,26,27);2-9,11-12,24H,10H2,1H3,(H,23,27)(H,22,25,26);2-9,11-12,25H,10H2,1H3,(H,23,24)(H,22,26,27);3-11,13,23H,12H2,1-2H3,(H,22,24,25);3-12,23H,13H2,1-2H3,(H,22,24,25);2*2-11,23H,12H2,1H3,(H,22,24,25);2-10,12,23H,11H2,1H3,(H,22,24,25).
What are the key properties of N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine?
N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine has a molecular weight of 3708.67 g/mol, XLogP of 48.55, 50 rotatable bonds, 22 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine is sourced from PubChem (CID 160545126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).