2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide

C26H22F4N4O — CID 44540765

IUPAC2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2)c1)c1cccn2cc(-c3ccc(F)cc3C(F)(F)F)nc12
InChIInChI=1S/C26H22F4N4O/c27-18-8-9-20(22(14-18)26(28,29)30)23-16-34-12-4-7-21(24(34)32-23)25(35)31-19-6-3-5-17(13-19)15-33-10-1-2-11-33/h3-9,12-14,16H,1-2,10-11,15H2,(H,31,35)
InChIKeyNKFWDMAZWYMFNM-UHFFFAOYSA-N
MW482.48 g/mol
LogP6.01
Rot. Bonds5

About 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide

2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 44540765) has the molecular formula C26H22F4N4O and a molecular weight of 482.48 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID44540765
Molecular FormulaC26H22F4N4O
Molecular Weight482.48 g/mol
Exact Mass482.17
IUPAC Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2)c1)c1cccn2cc(-c3ccc(F)cc3C(F)(F)F)nc12
InChIInChI=1S/C26H22F4N4O/c27-18-8-9-20(22(14-18)26(28,29)30)23-16-34-12-4-7-21(24(34)32-23)25(35)31-19-6-3-5-17(13-19)15-33-10-1-2-11-33/h3-9,12-14,16H,1-2,10-11,15H2,(H,31,35)
InChIKeyNKFWDMAZWYMFNM-UHFFFAOYSA-N
XLogP6.01
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.48
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131944566
5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
CID 131950386
1-(4-fluorophenyl)-5-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 34453775
1-(2-fluorophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821467
3,4-dichloro-N-[3-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44536762
1-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86839426
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870
2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131909771
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
1,6-dimethyl-4-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131916152
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 44540765) is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide is O=C(Nc1cccc(CN2CCCC2)c1)c1cccn2cc(-c3ccc(F)cc3C(F)(F)F)nc12.
What is the InChIKey of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is NKFWDMAZWYMFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N4O/c27-18-8-9-20(22(14-18)26(28,29)30)23-16-34-12-4-7-21(24(34)32-23)25(35)31-19-6-3-5-17(13-19)15-33-10-1-2-11-33/h3-9,12-14,16H,1-2,10-11,15H2,(H,31,35).
What are the key properties of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide?
2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 482.48 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 44540765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).