1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C95H133F6N13 — CID 159376260

IUPAC1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ncccc12.FC(F)(F)c1c[nH]c2ccccc12.FC(F)(F)c1c[nH]c2ncccc12.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1cnc2[nH]ccc2c1
InChIInChI=1S/C9H6F3N.C9H9N.C8H5F3N2.C8H8N2.C8H7N.3C7H6N2.8C4H10/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8;1-7-6-10-9-5-3-2-4-8(7)9;9-8(10,11)6-4-13-7-5(6)2-1-3-12-7;1-6-5-10-8-7(6)3-2-4-9-8;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;8*1-4(2)3/h1-5,13H;2-6,10H,1H3;1-4H,(H,12,13);2-5H,1H3,(H,9,10);1-6,9H;3*1-5H,(H,8,9);8*4H,1-3H3
InChIKeyLKIUIGGTROXTNB-UHFFFAOYSA-N
MW1571.19 g/mol
LogP30.27
Rot. Bonds

About 1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159376260) has the molecular formula C95H133F6N13 and a molecular weight of 1571.19 g/mol. Its IUPAC name is 1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID159376260
Molecular FormulaC95H133F6N13
Molecular Weight1571.19 g/mol
Exact Mass1570.07
IUPAC Name1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ncccc12.FC(F)(F)c1c[nH]c2ccccc12.FC(F)(F)c1c[nH]c2ncccc12.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1cnc2[nH]ccc2c1
InChIInChI=1S/C9H6F3N.C9H9N.C8H5F3N2.C8H8N2.C8H7N.3C7H6N2.8C4H10/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8;1-7-6-10-9-5-3-2-4-8(7)9;9-8(10,11)6-4-13-7-5(6)2-1-3-12-7;1-6-5-10-8-7(6)3-2-4-9-8;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;8*1-4(2)3/h1-5,13H;2-6,10H,1H3;1-4H,(H,12,13);2-5H,1H3,(H,9,10);1-6,9H;3*1-5H,(H,8,9);8*4H,1-3H3
InChIKeyLKIUIGGTROXTNB-UHFFFAOYSA-N
XLogP30.27
TPSA190.77 Ų
H-Bond Donors8
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001571.19
LogP ≤ 530.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 105

Analyze 1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ag-24322
CID 135413565
7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
7-[4-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837300

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 159376260) is 1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ncccc12.FC(F)(F)c1c[nH]c2ccccc12.FC(F)(F)c1c[nH]c2ncccc12.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1cnc2[nH]ccc2c1.
What is the InChIKey of 1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LKIUIGGTROXTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N.C9H9N.C8H5F3N2.C8H8N2.C8H7N.3C7H6N2.8C4H10/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8;1-7-6-10-9-5-3-2-4-8(7)9;9-8(10,11)6-4-13-7-5(6)2-1-3-12-7;1-6-5-10-8-7(6)3-2-4-9-8;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;8*1-4(2)3/h1-5,13H;2-6,10H,1H3;1-4H,(H,12,13);2-5H,1H3,(H,9,10);1-6,9H;3*1-5H,(H,8,9);8*4H,1-3H3.
What are the key properties of 1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1571.19 g/mol, XLogP of 30.27, 0 rotatable bonds, 8 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1H-indazole;1H-indole;3-methyl-1H-indole;octakis(2-methylpropane);3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-indole;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159376260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).