2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide

C29H27F4N5O2 — CID 59685000

IUPAC2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cccc(Oc2ccnc(-c3ncc(CN4CCCC4)[nH]3)c2)c1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C29H27F4N5O2/c30-25-7-6-20(29(31,32)33)15-24(25)28(39)35-10-8-19-4-3-5-22(14-19)40-23-9-11-34-26(16-23)27-36-17-21(37-27)18-38-12-1-2-13-38/h3-7,9,11,14-17H,1-2,8,10,12-13,18H2,(H,35,39)(H,36,37)
InChIKeyAZYZAIQDRACFTL-UHFFFAOYSA-N
MW553.56 g/mol
LogP5.99
Rot. Bonds9

About 2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide

2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide (PubChem CID 59685000) has the molecular formula C29H27F4N5O2 and a molecular weight of 553.56 g/mol. Its IUPAC name is 2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide
PubChem CID59685000
Molecular FormulaC29H27F4N5O2
Molecular Weight553.56 g/mol
Exact Mass553.21
IUPAC Name2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cccc(Oc2ccnc(-c3ncc(CN4CCCC4)[nH]3)c2)c1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C29H27F4N5O2/c30-25-7-6-20(29(31,32)33)15-24(25)28(39)35-10-8-19-4-3-5-22(14-19)40-23-9-11-34-26(16-23)27-36-17-21(37-27)18-38-12-1-2-13-38/h3-7,9,11,14-17H,1-2,8,10,12-13,18H2,(H,35,39)(H,36,37)
InChIKeyAZYZAIQDRACFTL-UHFFFAOYSA-N
XLogP5.99
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.56
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide (CID 59685000) is 2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide is O=C(NCCc1cccc(Oc2ccnc(-c3ncc(CN4CCCC4)[nH]3)c2)c1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide?
The InChIKey is AZYZAIQDRACFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F4N5O2/c30-25-7-6-20(29(31,32)33)15-24(25)28(39)35-10-8-19-4-3-5-22(14-19)40-23-9-11-34-26(16-23)27-36-17-21(37-27)18-38-12-1-2-13-38/h3-7,9,11,14-17H,1-2,8,10,12-13,18H2,(H,35,39)(H,36,37).
What are the key properties of 2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide?
2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide has a molecular weight of 553.56 g/mol, XLogP of 5.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[3-[[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]ethyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59685000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).