1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol

C99H99N25O6 — CID 158626301

IUPAC1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol
SMILESCN(C)CCCn1cc(-c2cnnn2-c2cc3ccccc3[nH]2)c2cc(O)ccc21.CN1CCN(c2cccc3[nH]c(-n4cc(-c5ccc6cc(O)ccc6c5)nn4)cc23)CC1.COc1cc(O)ccc1-c1ccc2c(c1)nnn2-c1cc2c(N3CCN(C)CC3)cccc2[nH]1.COc1cc(O)ccc1-c1ccc2c(c1)nnn2-c1nc2c(N3CCN(C)CC3)cccc2[nH]1
InChIInChI=1S/C26H26N6O2.C25H25N7O2.C25H24N6O.C23H24N6O/c1-30-10-12-31(13-11-30)23-5-3-4-21-20(23)16-26(27-21)32-24-9-6-17(14-22(24)28-29-32)19-8-7-18(33)15-25(19)34-2;1-30-10-12-31(13-11-30)22-5-3-4-19-24(22)27-25(26-19)32-21-9-6-16(14-20(21)28-29-32)18-8-7-17(33)15-23(18)34-2;1-29-9-11-30(12-10-29)24-4-2-3-22-21(24)15-25(26-22)31-16-23(27-28-31)19-6-5-18-14-20(32)8-7-17(18)13-19;1-27(2)10-5-11-28-15-19(18-13-17(30)8-9-21(18)28)22-14-24-26-29(22)23-12-16-6-3-4-7-20(16)25-23/h3-9,14-16,27,33H,10-13H2,1-2H3;3-9,14-15,33H,10-13H2,1-2H3,(H,26,27);2-8,13-16,26,32H,9-12H2,1H3;3-4,6-9,12-15,25,30H,5,10-11H2,1-2H3
InChIKeyHYQAYIHAFYTIBN-UHFFFAOYSA-N
MW1735.05 g/mol
LogP15.52
Rot. Bonds17

About 1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol

1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol (PubChem CID 158626301) has the molecular formula C99H99N25O6 and a molecular weight of 1735.05 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol
PubChem CID158626301
Molecular FormulaC99H99N25O6
Molecular Weight1735.05 g/mol
Exact Mass1733.82
IUPAC Name1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol
SMILESCN(C)CCCn1cc(-c2cnnn2-c2cc3ccccc3[nH]2)c2cc(O)ccc21.CN1CCN(c2cccc3[nH]c(-n4cc(-c5ccc6cc(O)ccc6c5)nn4)cc23)CC1.COc1cc(O)ccc1-c1ccc2c(c1)nnn2-c1cc2c(N3CCN(C)CC3)cccc2[nH]1.COc1cc(O)ccc1-c1ccc2c(c1)nnn2-c1nc2c(N3CCN(C)CC3)cccc2[nH]1
InChIInChI=1S/C26H26N6O2.C25H25N7O2.C25H24N6O.C23H24N6O/c1-30-10-12-31(13-11-30)23-5-3-4-21-20(23)16-26(27-21)32-24-9-6-17(14-22(24)28-29-32)19-8-7-18(33)15-25(19)34-2;1-30-10-12-31(13-11-30)22-5-3-4-19-24(22)27-25(26-19)32-21-9-6-16(14-20(21)28-29-32)18-8-7-17(33)15-23(18)34-2;1-29-9-11-30(12-10-29)24-4-2-3-22-21(24)15-25(26-22)31-16-23(27-28-31)19-6-5-18-14-20(32)8-7-17(18)13-19;1-27(2)10-5-11-28-15-19(18-13-17(30)8-9-21(18)28)22-14-24-26-29(22)23-12-16-6-3-4-7-20(16)25-23/h3-9,14-16,27,33H,10-13H2,1-2H3;3-9,14-15,33H,10-13H2,1-2H3,(H,26,27);2-8,13-16,26,32H,9-12H2,1H3;3-4,6-9,12-15,25,30H,5,10-11H2,1-2H3
InChIKeyHYQAYIHAFYTIBN-UHFFFAOYSA-N
XLogP15.52
TPSA325.88 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001735.05
LogP ≤ 515.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol with MolForge

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Related Compounds

3-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-[3-(dimethylamino)propyl]indol-5-ol;1-[3-(dimethylamino)propyl]-3-[5-(1H-indol-2-yl)-1H-pyrazol-4-yl]indol-5-ol;6-[5-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]naphthalen-2-ol;6-[5-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazol-3-yl]naphthalen-2-ol
CID 157053922
[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4-[1-[(4-methoxyphenyl)methyl]-3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]indazol-5-yl]isoquinoline;pyrrolidine;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline
CID 157383395
6-but-2-enyl-17-(2-but-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-but-2-enyl-17-(2-but-2-enyl-1H-imidazol-5-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-but-2-enyl-17-(2-but-2-enyl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene;6-but-2-enyl-17-(2-but-2-enyl-1H-imidazol-5-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene
CID 157410439
bromomethane;but-2-yne;1,3-dimethoxy-2,5-dimethylbenzene;2,5-dimethyl-1,3-dinitrobenzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylnaphthalene;1,4-dimethyl-2-nitrobenzene;1,3-dimethyl-4-nitropyrrole;5,8-dimethylphthalazine;1,3-dimethylpyrazole;3,6-dimethylpyridazine;1,3-dimethylpyrrole;5,8-dimethylquinazoline;tris(5,8-dimethylquinoline);3,6-dimethyl-1,2,4,5-tetrazine;ethane;1-ethyl-3-methylbenzene;bis(1-ethyl-4-methylbenzene);2-ethyl-5-methylbenzene-1,3-diol;methanol;2-methoxy-1,4-dimethylbenzene;2-methyl-1H-imidazole;propane;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;2,3,5-trimethylphenol;1,3-xylene
CID 157635552
12-[4-(3,5-dimethoxyphenyl)-6-(3-methoxy-5-methylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]aniline;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;11-phenyl-12-(4-phenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 157645699
6-propan-2-yl-17-(2-propan-2-yl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;6-propan-2-yl-17-(2-propan-2-yl-1H-imidazol-5-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene;bis(6-propan-2-yl-17-(2-propan-2-yl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene)
CID 158095573
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]benzene-1,3-diol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol;pyridine;hydrochloride
CID 158243429
4-(1H-benzimidazol-2-yl)-3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-2-yl)-1,2-dihydropyrrol-5-one;3-[1-[3-(dimethylamino)propyl]-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)-1,2-dihydropyrrol-5-one;3-(5-hydroxy-1H-indol-3-yl)-4-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,2-dihydropyrrol-5-one;3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
CID 158271002
bis(6-propan-2-yl-17-(2-propan-2-yl-1H-imidazol-5-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene);6-propan-2-yl-17-(2-propan-2-yl-1H-imidazol-5-yl)-20-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene;6-propan-2-yl-17-(2-propan-2-yl-1H-imidazol-5-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaene
CID 158336610
12-[4-(3,5-dimethoxyphenyl)-6-(3-methoxy-5-methylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]aniline;bis(11-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole);12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;11-phenyl-12-(4-phenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 158348799
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 158451098
3-(1-Anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole
CID 158482462

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol (CID 158626301) is 1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol is CN(C)CCCn1cc(-c2cnnn2-c2cc3ccccc3[nH]2)c2cc(O)ccc21.CN1CCN(c2cccc3[nH]c(-n4cc(-c5ccc6cc(O)ccc6c5)nn4)cc23)CC1.COc1cc(O)ccc1-c1ccc2c(c1)nnn2-c1cc2c(N3CCN(C)CC3)cccc2[nH]1.COc1cc(O)ccc1-c1ccc2c(c1)nnn2-c1nc2c(N3CCN(C)CC3)cccc2[nH]1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol?
The InChIKey is HYQAYIHAFYTIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2.C25H25N7O2.C25H24N6O.C23H24N6O/c1-30-10-12-31(13-11-30)23-5-3-4-21-20(23)16-26(27-21)32-24-9-6-17(14-22(24)28-29-32)19-8-7-18(33)15-25(19)34-2;1-30-10-12-31(13-11-30)22-5-3-4-19-24(22)27-25(26-19)32-21-9-6-16(14-20(21)28-29-32)18-8-7-17(33)15-23(18)34-2;1-29-9-11-30(12-10-29)24-4-2-3-22-21(24)15-25(26-22)31-16-23(27-28-31)19-6-5-18-14-20(32)8-7-17(18)13-19;1-27(2)10-5-11-28-15-19(18-13-17(30)8-9-21(18)28)22-14-24-26-29(22)23-12-16-6-3-4-7-20(16)25-23/h3-9,14-16,27,33H,10-13H2,1-2H3;3-9,14-15,33H,10-13H2,1-2H3,(H,26,27);2-8,13-16,26,32H,9-12H2,1H3;3-4,6-9,12-15,25,30H,5,10-11H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol?
1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol has a molecular weight of 1735.05 g/mol, XLogP of 15.52, 17 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-[3-(1H-indol-2-yl)triazol-4-yl]indol-5-ol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzotriazol-5-yl]phenol;3-methoxy-4-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]benzotriazol-5-yl]phenol;6-[1-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]triazol-4-yl]naphthalen-2-ol is sourced from PubChem (CID 158626301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).