N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H20F3N3O3 — CID 58049370

IUPACN-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(c1cn2ccccc2n1)N(Cc1cccc(OC(F)(F)F)c1)C1CCOCC1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)30-17-5-3-4-15(12-17)13-27(16-7-10-29-11-8-16)20(28)18-14-26-9-2-1-6-19(26)25-18/h1-6,9,12,14,16H,7-8,10-11,13H2
InChIKeyOJQKWQOUWKDKOP-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.05
Rot. Bonds5

About N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 58049370) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID58049370
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC NameN-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(c1cn2ccccc2n1)N(Cc1cccc(OC(F)(F)F)c1)C1CCOCC1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)30-17-5-3-4-15(12-17)13-27(16-7-10-29-11-8-16)20(28)18-14-26-9-2-1-6-19(26)25-18/h1-6,9,12,14,16H,7-8,10-11,13H2
InChIKeyOJQKWQOUWKDKOP-UHFFFAOYSA-N
XLogP4.05
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N1-((4-methoxyphenyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine (1:1)
CID 162821
3-(Cyclopropylmethyl)-8-methoxy-1-[(4-methylphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 24878975
3-(Cyclopropylmethyl)-8-methoxy-1-[(3-methoxyphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 137635053
1-Benzyl-3-(cyclopropylmethyl)-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137639736
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 5340453
1-Benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione
CID 11035880
1-Benzyl-3-[(4-methoxyphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 11047906
1-Benzyl-8-methoxy-1h,3h-pyrido[2,1-f]purine-2,4-dione
CID 11427243
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid 4-methoxy-benzylamide
CID 1073190
(2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-propyl-2-(4-(3-(trifluoromethoxy)phenyl)-1H-imidazol-1-yl)pyrimidin-4-ylamino)pentanamide
CID 44410911
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 52935300

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 58049370) is N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(c1cn2ccccc2n1)N(Cc1cccc(OC(F)(F)F)c1)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is OJQKWQOUWKDKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c22-21(23,24)30-17-5-3-4-15(12-17)13-27(16-7-10-29-11-8-16)20(28)18-14-26-9-2-1-6-19(26)25-18/h1-6,9,12,14,16H,7-8,10-11,13H2.
What are the key properties of N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 58049370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).