pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone

C28H33F3N4O2 — CID 67615763

IUPACpyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone
SMILESCC(C)(CC(F)(F)F)N1CCC(Oc2ccc(-n3ccc4cc(C(=O)N5CCCC5)ccc43)nc2)CC1
InChIInChI=1S/C28H33F3N4O2/c1-27(2,19-28(29,30)31)34-14-10-22(11-15-34)37-23-6-8-25(32-18-23)35-16-9-20-17-21(5-7-24(20)35)26(36)33-12-3-4-13-33/h5-9,16-18,22H,3-4,10-15,19H2,1-2H3
InChIKeyZCGQFBIUVBISEN-UHFFFAOYSA-N
MW514.59 g/mol
LogP5.84
Rot. Bonds6

About pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone

pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone (PubChem CID 67615763) has the molecular formula C28H33F3N4O2 and a molecular weight of 514.59 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone
PubChem CID67615763
Molecular FormulaC28H33F3N4O2
Molecular Weight514.59 g/mol
Exact Mass514.26
IUPAC Namepyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone
SMILESCC(C)(CC(F)(F)F)N1CCC(Oc2ccc(-n3ccc4cc(C(=O)N5CCCC5)ccc43)nc2)CC1
InChIInChI=1S/C28H33F3N4O2/c1-27(2,19-28(29,30)31)34-14-10-22(11-15-34)37-23-6-8-25(32-18-23)35-16-9-20-17-21(5-7-24(20)35)26(36)33-12-3-4-13-33/h5-9,16-18,22H,3-4,10-15,19H2,1-2H3
InChIKeyZCGQFBIUVBISEN-UHFFFAOYSA-N
XLogP5.84
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid
CID 67615447
1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
CID 67609554
4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 67616289
tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 161459353
ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 67632421
1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
CID 67806870
1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one
CID 67807766
tert-butyl 4-[[6-[5-(dimethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 67807780
propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate
CID 158766134
5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole
CID 67616611
(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313
5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 67616450

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone (CID 67615763) is pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone is CC(C)(CC(F)(F)F)N1CCC(Oc2ccc(-n3ccc4cc(C(=O)N5CCCC5)ccc43)nc2)CC1.
What is the InChIKey of pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone?
The InChIKey is ZCGQFBIUVBISEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N4O2/c1-27(2,19-28(29,30)31)34-14-10-22(11-15-34)37-23-6-8-25(32-18-23)35-16-9-20-17-21(5-7-24(20)35)26(36)33-12-3-4-13-33/h5-9,16-18,22H,3-4,10-15,19H2,1-2H3.
What are the key properties of pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone?
pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone has a molecular weight of 514.59 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone is sourced from PubChem (CID 67615763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).