4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C20H20F3N5O — CID 90571956

IUPAC4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C20H20F3N5O/c21-20(22,23)16-5-1-2-6-17(16)25-19(29)27-11-9-26(10-12-27)14-15-13-24-18-7-3-4-8-28(15)18/h1-8,13H,9-12,14H2,(H,25,29)
InChIKeyNUJNGZPHVVCAEP-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.70
Rot. Bonds3

About 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 90571956) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID90571956
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C20H20F3N5O/c21-20(22,23)16-5-1-2-6-17(16)25-19(29)27-11-9-26(10-12-27)14-15-13-24-18-7-3-4-8-28(15)18/h1-8,13H,9-12,14H2,(H,25,29)
InChIKeyNUJNGZPHVVCAEP-UHFFFAOYSA-N
XLogP3.70
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571771
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90533532
3-cyclopentyl-1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 90571732
4-(6-pyrrol-1-ylpyridazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122341773
(3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571752
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90571889
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 90571811
N-(2-tert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108670
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 90571872
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90571697
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11324351

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 90571956) is 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCN(Cc2cnc3ccccn23)CC1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is NUJNGZPHVVCAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c21-20(22,23)16-5-1-2-6-17(16)25-19(29)27-11-9-26(10-12-27)14-15-13-24-18-7-3-4-8-28(15)18/h1-8,13H,9-12,14H2,(H,25,29).
What are the key properties of 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 90571956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).