2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole

C67H58ClF3N12 — CID 160579421

IUPAC2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
SMILESCc1ccc(C(F)(F)F)c2cc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ccc(Cl)c2cc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ncc(C)n2nc(CCC3=Nc4c(ccc5ccccc45)C3)cc12
InChIInChI=1S/C23H19F3N4.C22H19ClN4.C22H20N4/c1-14-7-10-18(23(24,25)26)20-13-16(28-30(14)20)9-12-21-27-22-17-6-4-3-5-15(17)8-11-19(22)29(21)2;1-14-7-10-18(23)20-13-16(25-27(14)20)9-12-21-24-22-17-6-4-3-5-15(17)8-11-19(22)26(21)2;1-14-13-23-15(2)21-12-19(25-26(14)21)10-9-18-11-17-8-7-16-5-3-4-6-20(16)22(17)24-18/h3-8,10-11,13H,9,12H2,1-2H3;3-8,10-11,13H,9,12H2,1-2H3;3-8,12-13H,9-11H2,1-2H3
InChIKeyRBOQLDBAUVCZTI-UHFFFAOYSA-N
MW1123.73 g/mol
LogP15.37
Rot. Bonds9

About 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole

2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole (PubChem CID 160579421) has the molecular formula C67H58ClF3N12 and a molecular weight of 1123.73 g/mol. Its IUPAC name is 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole.

Molecular Properties

Compound Name2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
PubChem CID160579421
Molecular FormulaC67H58ClF3N12
Molecular Weight1123.73 g/mol
Exact Mass1122.45
IUPAC Name2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
SMILESCc1ccc(C(F)(F)F)c2cc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ccc(Cl)c2cc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ncc(C)n2nc(CCC3=Nc4c(ccc5ccccc45)C3)cc12
InChIInChI=1S/C23H19F3N4.C22H19ClN4.C22H20N4/c1-14-7-10-18(23(24,25)26)20-13-16(28-30(14)20)9-12-21-27-22-17-6-4-3-5-15(17)8-11-19(22)29(21)2;1-14-7-10-18(23)20-13-16(25-27(14)20)9-12-21-24-22-17-6-4-3-5-15(17)8-11-19(22)26(21)2;1-14-13-23-15(2)21-12-19(25-26(14)21)10-9-18-11-17-8-7-16-5-3-4-6-20(16)22(17)24-18/h3-8,10-11,13H,9,12H2,1-2H3;3-8,10-11,13H,9,12H2,1-2H3;3-8,12-13H,9-11H2,1-2H3
InChIKeyRBOQLDBAUVCZTI-UHFFFAOYSA-N
XLogP15.37
TPSA112.79 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001123.73
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole with MolForge

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Related Compounds

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CID 90095133
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole?
The IUPAC name of 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole (CID 160579421) is 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole.
What is the SMILES notation for 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole?
The canonical SMILES for 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole is Cc1ccc(C(F)(F)F)c2cc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ccc(Cl)c2cc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ncc(C)n2nc(CCC3=Nc4c(ccc5ccccc45)C3)cc12.
What is the InChIKey of 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole?
The InChIKey is RBOQLDBAUVCZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4.C22H19ClN4.C22H20N4/c1-14-7-10-18(23(24,25)26)20-13-16(28-30(14)20)9-12-21-27-22-17-6-4-3-5-15(17)8-11-19(22)29(21)2;1-14-7-10-18(23)20-13-16(25-27(14)20)9-12-21-24-22-17-6-4-3-5-15(17)8-11-19(22)26(21)2;1-14-13-23-15(2)21-12-19(25-26(14)21)10-9-18-11-17-8-7-16-5-3-4-6-20(16)22(17)24-18/h3-8,10-11,13H,9,12H2,1-2H3;3-8,10-11,13H,9,12H2,1-2H3;3-8,12-13H,9-11H2,1-2H3.
What are the key properties of 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole?
2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole has a molecular weight of 1123.73 g/mol, XLogP of 15.37, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole is sourced from PubChem (CID 160579421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).