3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole

C57H71F3N10O5 — CID 161395436

IUPAC3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole
SMILESCOCCCc1c[nH]c2ncccc12.COCCCc1cn(C)c2ncccc12.COCCCn1c(C(F)(F)F)nc2ccccc21.COCCCn1ccc2cccnc21.COCCCn1ccc2cnccc21
InChIInChI=1S/C12H13F3N2O.C12H16N2O.3C11H14N2O/c1-18-8-4-7-17-10-6-3-2-5-9(10)16-11(17)12(13,14)15;1-14-9-10(5-4-8-15-2)11-6-3-7-13-12(11)14;1-14-8-2-6-13-7-4-10-9-12-5-3-11(10)13;1-14-7-3-4-9-8-13-11-10(9)5-2-6-12-11;1-14-9-3-7-13-8-5-10-4-2-6-12-11(10)13/h2-3,5-6H,4,7-8H2,1H3;3,6-7,9H,4-5,8H2,1-2H3;3-5,7,9H,2,6,8H2,1H3;2,5-6,8H,3-4,7H2,1H3,(H,12,13);2,4-6,8H,3,7,9H2,1H3
InChIKeyVTNOFZUMWJSTDQ-UHFFFAOYSA-N
MW1033.25 g/mol
LogP11.53
Rot. Bonds20

About 3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole

3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole (PubChem CID 161395436) has the molecular formula C57H71F3N10O5 and a molecular weight of 1033.25 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole
PubChem CID161395436
Molecular FormulaC57H71F3N10O5
Molecular Weight1033.25 g/mol
Exact Mass1032.56
IUPAC Name3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole
SMILESCOCCCc1c[nH]c2ncccc12.COCCCc1cn(C)c2ncccc12.COCCCn1c(C(F)(F)F)nc2ccccc21.COCCCn1ccc2cccnc21.COCCCn1ccc2cnccc21
InChIInChI=1S/C12H13F3N2O.C12H16N2O.3C11H14N2O/c1-18-8-4-7-17-10-6-3-2-5-9(10)16-11(17)12(13,14)15;1-14-9-10(5-4-8-15-2)11-6-3-7-13-12(11)14;1-14-8-2-6-13-7-4-10-9-12-5-3-11(10)13;1-14-7-3-4-9-8-13-11-10(9)5-2-6-12-11;1-14-9-3-7-13-8-5-10-4-2-6-12-11(10)13/h2-3,5-6H,4,7-8H2,1H3;3,6-7,9H,4-5,8H2,1-2H3;3-5,7,9H,2,6,8H2,1H3;2,5-6,8H,3-4,7H2,1H3,(H,12,13);2,4-6,8H,3,7,9H2,1H3
InChIKeyVTNOFZUMWJSTDQ-UHFFFAOYSA-N
XLogP11.53
TPSA146.11 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001033.25
LogP ≤ 511.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole with MolForge

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Related Compounds

1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine
CID 59595069
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66412424
1-[3-(2-prop-2-enylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996797
methyl 4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoate
CID 56791848
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(trifluoromethyl)benzimidazole
CID 16996825
7-(2,2-dimethylpropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 151069738
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996795
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144367
2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol
CID 19242286
2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
CID 156599885

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole (CID 161395436) is 3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole is COCCCc1c[nH]c2ncccc12.COCCCc1cn(C)c2ncccc12.COCCCn1c(C(F)(F)F)nc2ccccc21.COCCCn1ccc2cccnc21.COCCCn1ccc2cnccc21.
What is the InChIKey of 3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole?
The InChIKey is VTNOFZUMWJSTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O.C12H16N2O.3C11H14N2O/c1-18-8-4-7-17-10-6-3-2-5-9(10)16-11(17)12(13,14)15;1-14-9-10(5-4-8-15-2)11-6-3-7-13-12(11)14;1-14-8-2-6-13-7-4-10-9-12-5-3-11(10)13;1-14-7-3-4-9-8-13-11-10(9)5-2-6-12-11;1-14-9-3-7-13-8-5-10-4-2-6-12-11(10)13/h2-3,5-6H,4,7-8H2,1H3;3,6-7,9H,4-5,8H2,1-2H3;3-5,7,9H,2,6,8H2,1H3;2,5-6,8H,3-4,7H2,1H3,(H,12,13);2,4-6,8H,3,7,9H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole?
3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole has a molecular weight of 1033.25 g/mol, XLogP of 11.53, 20 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-methylpyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;3-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 161395436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).