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

C98H98N22O4 — CID 157053922

IUPAC3-[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
SMILESCN(C)CCCn1cc(-c2cn[nH]c2-c2cc3ccccc3[nH]2)c2cc(O)ccc21.CN(C)CCCn1cc(-c2cn[nH]c2-c2nc3ccccc3[nH]2)c2cc(O)ccc21.CN1CCN(c2cccc3[nH]c(-c4cc(-c5ccc6cc(O)ccc6c5)n[nH]4)cc23)CC1.CN1CCN(c2cccc3[nH]c(-c4cc(-c5ccc6cc(O)ccc6c5)n[nH]4)nc23)CC1
InChIInChI=1S/C26H25N5O.C25H24N6O.C24H25N5O.C23H24N6O/c1-30-9-11-31(12-10-30)26-4-2-3-22-21(26)15-24(27-22)25-16-23(28-29-25)19-6-5-18-14-20(32)8-7-17(18)13-19;1-30-9-11-31(12-10-30)23-4-2-3-20-24(23)27-25(26-20)22-15-21(28-29-22)18-6-5-17-14-19(32)8-7-16(17)13-18;1-28(2)10-5-11-29-15-20(18-13-17(30)8-9-23(18)29)19-14-25-27-24(19)22-12-16-6-3-4-7-21(16)26-22;1-28(2)10-5-11-29-14-18(16-12-15(30)8-9-21(16)29)17-13-24-27-22(17)23-25-19-6-3-4-7-20(19)26-23/h2-8,13-16,27,32H,9-12H2,1H3,(H,28,29);2-8,13-15,32H,9-12H2,1H3,(H,26,27)(H,28,29);3-4,6-9,12-15,26,30H,5,10-11H2,1-2H3,(H,25,27);3-4,6-9,12-14,30H,5,10-11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyAANHZUNMQYOQCV-UHFFFAOYSA-N
MW1648.01 g/mol
LogP18.14
Rot. Bonds18

About 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

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 (PubChem CID 157053922) has the molecular formula C98H98N22O4 and a molecular weight of 1648.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID157053922
Molecular FormulaC98H98N22O4
Molecular Weight1648.01 g/mol
Exact Mass1646.81
IUPAC Name3-[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
SMILESCN(C)CCCn1cc(-c2cn[nH]c2-c2cc3ccccc3[nH]2)c2cc(O)ccc21.CN(C)CCCn1cc(-c2cn[nH]c2-c2nc3ccccc3[nH]2)c2cc(O)ccc21.CN1CCN(c2cccc3[nH]c(-c4cc(-c5ccc6cc(O)ccc6c5)n[nH]4)cc23)CC1.CN1CCN(c2cccc3[nH]c(-c4cc(-c5ccc6cc(O)ccc6c5)n[nH]4)nc23)CC1
InChIInChI=1S/C26H25N5O.C25H24N6O.C24H25N5O.C23H24N6O/c1-30-9-11-31(12-10-30)26-4-2-3-22-21(26)15-24(27-22)25-16-23(28-29-25)19-6-5-18-14-20(32)8-7-17(18)13-19;1-30-9-11-31(12-10-30)23-4-2-3-20-24(23)27-25(26-20)22-15-21(28-29-22)18-6-5-17-14-19(32)8-7-16(17)13-18;1-28(2)10-5-11-29-15-20(18-13-17(30)8-9-23(18)29)19-14-25-27-24(19)22-12-16-6-3-4-7-21(16)26-22;1-28(2)10-5-11-29-14-18(16-12-15(30)8-9-21(16)29)17-13-24-27-22(17)23-25-19-6-3-4-7-20(19)26-23/h2-8,13-16,27,32H,9-12H2,1H3,(H,28,29);2-8,13-15,32H,9-12H2,1H3,(H,26,27)(H,28,29);3-4,6-9,12-15,26,30H,5,10-11H2,1-2H3,(H,25,27);3-4,6-9,12-14,30H,5,10-11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyAANHZUNMQYOQCV-UHFFFAOYSA-N
XLogP18.14
TPSA313.88 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001648.01
LogP ≤ 518.14
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

5-Ethyl-2-fluoro-4-[3-(5-quinolin-6-ylmethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-phenol
CID 136263969
5-Ethyl-2-fluoro-4-[3-(5-quinolin-3-ylmethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-phenol
CID 136263978
5-Ethyl-2-fluoro-4-{3-[5-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-phenol
CID 136263980
3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
CID 136937132
3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol
CID 136943318
5-ethyl-2-fluoro-4-[3-[5-(quinolin-8-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
CID 136983542
2-fluoro-4-[3-[5-(quinolin-8-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-(2,2,2-trifluoroethyl)phenol
CID 136983543
7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol
CID 158365867
2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;4-[2-ethyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;3-fluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]-5-methylphenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine;3-(3-methyl-2H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 161786261
5-ethyl-2-fluoro-4-[3-[5-[[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
CID 163257147
5-ethyl-2-fluoro-4-[3-[5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
CID 163257154
5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
CID 163257155

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCCn1cc(-c2cn[nH]c2-c2cc3ccccc3[nH]2)c2cc(O)ccc21.CN(C)CCCn1cc(-c2cn[nH]c2-c2nc3ccccc3[nH]2)c2cc(O)ccc21.CN1CCN(c2cccc3[nH]c(-c4cc(-c5ccc6cc(O)ccc6c5)n[nH]4)cc23)CC1.CN1CCN(c2cccc3[nH]c(-c4cc(-c5ccc6cc(O)ccc6c5)n[nH]4)nc23)CC1.
What is the InChIKey of 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?
The InChIKey is AANHZUNMQYOQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O.C25H24N6O.C24H25N5O.C23H24N6O/c1-30-9-11-31(12-10-30)26-4-2-3-22-21(26)15-24(27-22)25-16-23(28-29-25)19-6-5-18-14-20(32)8-7-17(18)13-19;1-30-9-11-31(12-10-30)23-4-2-3-20-24(23)27-25(26-20)22-15-21(28-29-22)18-6-5-17-14-19(32)8-7-16(17)13-18;1-28(2)10-5-11-29-15-20(18-13-17(30)8-9-23(18)29)19-14-25-27-24(19)22-12-16-6-3-4-7-21(16)26-22;1-28(2)10-5-11-29-14-18(16-12-15(30)8-9-21(16)29)17-13-24-27-22(17)23-25-19-6-3-4-7-20(19)26-23/h2-8,13-16,27,32H,9-12H2,1H3,(H,28,29);2-8,13-15,32H,9-12H2,1H3,(H,26,27)(H,28,29);3-4,6-9,12-15,26,30H,5,10-11H2,1-2H3,(H,25,27);3-4,6-9,12-14,30H,5,10-11H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 1648.01 g/mol, XLogP of 18.14, 18 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157053922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).