N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H21F3N4O — CID 42690045

IUPACN-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1cn2cc(-c3cccc(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C21H21F3N4O/c22-21(23,24)17-5-3-4-15(12-17)16-6-7-19-26-18(14-28(19)13-16)20(29)25-8-11-27-9-1-2-10-27/h3-7,12-14H,1-2,8-11H2,(H,25,29)
InChIKeyWDVITRKVWMMCBE-UHFFFAOYSA-N
MW402.42 g/mol
LogP3.85
Rot. Bonds5

About N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 42690045) has the molecular formula C21H21F3N4O and a molecular weight of 402.42 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID42690045
Molecular FormulaC21H21F3N4O
Molecular Weight402.42 g/mol
Exact Mass402.17
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1cn2cc(-c3cccc(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C21H21F3N4O/c22-21(23,24)17-5-3-4-15(12-17)16-6-7-19-26-18(14-28(19)13-16)20(29)25-8-11-27-9-1-2-10-27/h3-7,12-14H,1-2,8-11H2,(H,25,29)
InChIKeyWDVITRKVWMMCBE-UHFFFAOYSA-N
XLogP3.85
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42690054
N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799622
6-methyl-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051439
6-chloro-N-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051345
6-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876582
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119448321
4-methyl-N-(4-pyrrolidin-1-ylbutyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 59338656
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796721
6-(3-chlorophenyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876507
6-(3-fluorophenyl)-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876493
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796480

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 42690045) is N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCCN1CCCC1)c1cn2cc(-c3cccc(C(F)(F)F)c3)ccc2n1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is WDVITRKVWMMCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O/c22-21(23,24)17-5-3-4-15(12-17)16-6-7-19-26-18(14-28(19)13-16)20(29)25-8-11-27-9-1-2-10-27/h3-7,12-14H,1-2,8-11H2,(H,25,29).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 402.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 42690045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).