3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide

C21H19F3N5O2+ — CID 142565359

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1noc(C)c1-c1cnc2cc(C(=O)NCC[n+]3ccc(C(F)(F)F)cc3)ccn12
InChIInChI=1S/C21H18F3N5O2/c1-13-19(14(2)31-27-13)17-12-26-18-11-15(3-9-29(17)18)20(30)25-6-10-28-7-4-16(5-8-28)21(22,23)24/h3-5,7-9,11-12H,6,10H2,1-2H3/p+1
InChIKeyWYWPVLXWKQFJGG-UHFFFAOYSA-O
MW430.41 g/mol
LogP3.34
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 142565359) has the molecular formula C21H19F3N5O2+ and a molecular weight of 430.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID142565359
Molecular FormulaC21H19F3N5O2+
Molecular Weight430.41 g/mol
Exact Mass430.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1noc(C)c1-c1cnc2cc(C(=O)NCC[n+]3ccc(C(F)(F)F)cc3)ccn12
InChIInChI=1S/C21H18F3N5O2/c1-13-19(14(2)31-27-13)17-12-26-18-11-15(3-9-29(17)18)20(30)25-6-10-28-7-4-16(5-8-28)21(22,23)24/h3-5,7-9,11-12H,6,10H2,1-2H3/p+1
InChIKeyWYWPVLXWKQFJGG-UHFFFAOYSA-O
XLogP3.34
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-isopropyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117834061
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887098
5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334971
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)pyridin-2-yl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334974
4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334975
4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334976
5-[(5-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334979
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)pyridin-2-yl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334980
N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 137409199
N-tert-butyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 137409200
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-((5-methylisoxazol-3-yl)methyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538961
(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propanamide
CID 139269400

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 142565359) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide is Cc1noc(C)c1-c1cnc2cc(C(=O)NCC[n+]3ccc(C(F)(F)F)cc3)ccn12.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is WYWPVLXWKQFJGG-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H18F3N5O2/c1-13-19(14(2)31-27-13)17-12-26-18-11-15(3-9-29(17)18)20(30)25-6-10-28-7-4-16(5-8-28)21(22,23)24/h3-5,7-9,11-12H,6,10H2,1-2H3/p+1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 430.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 142565359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).