N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C22H20F3N5O2 — CID 42961808

IUPACN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1nccn1-c1cc(CNC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)ccn1
InChIInChI=1S/C22H20F3N5O2/c1-14-26-7-8-29(14)19-9-15(5-6-27-19)12-28-21(32)16-10-20(31)30(13-16)18-4-2-3-17(11-18)22(23,24)25/h2-9,11,16H,10,12-13H2,1H3,(H,28,32)
InChIKeyCKXARVOETVXHJH-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.26
Rot. Bonds5

About N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 42961808) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID42961808
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC NameN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1nccn1-c1cc(CNC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)ccn1
InChIInChI=1S/C22H20F3N5O2/c1-14-26-7-8-29(14)19-9-15(5-6-27-19)12-28-21(32)16-10-20(31)30(13-16)18-4-2-3-17(11-18)22(23,24)25/h2-9,11,16H,10,12-13H2,1H3,(H,28,32)
InChIKeyCKXARVOETVXHJH-UHFFFAOYSA-N
XLogP3.26
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188634
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55749894
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55660487
N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904734
1-(4-methoxyphenyl)-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46109930
1-(3-bromophenyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-oxopyrrolidine-3-carboxamide
CID 55847742
5-oxo-N-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 17456684
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55567039
5-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55652394
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
N-(2-ethoxy-3-pyridinyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55678986
(3S)-1-(4-fluorophenyl)-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122290847

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 42961808) is N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is Cc1nccn1-c1cc(CNC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)ccn1.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is CKXARVOETVXHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-14-26-7-8-29(14)19-9-15(5-6-27-19)12-28-21(32)16-10-20(31)30(13-16)18-4-2-3-17(11-18)22(23,24)25/h2-9,11,16H,10,12-13H2,1H3,(H,28,32).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42961808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).