3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C20H20F3N5O — CID 53191248

IUPAC3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc2cccnc21
InChIInChI=1S/C20H20F3N5O/c1-2-28-17(26-16-7-4-9-24-18(16)28)13-8-10-27(12-13)19(29)25-15-6-3-5-14(11-15)20(21,22)23/h3-7,9,11,13H,2,8,10,12H2,1H3,(H,25,29)
InChIKeyYENLOJJXUUNSBI-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.49
Rot. Bonds3

About 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 53191248) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID53191248
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc2cccnc21
InChIInChI=1S/C20H20F3N5O/c1-2-28-17(26-16-7-4-9-24-18(16)28)13-8-10-27(12-13)19(29)25-15-6-3-5-14(11-15)20(21,22)23/h3-7,9,11,13H,2,8,10,12H2,1H3,(H,25,29)
InChIKeyYENLOJJXUUNSBI-UHFFFAOYSA-N
XLogP4.49
TPSA63.05 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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 53191231
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 97416535
N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 87054348
(3R)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 95110255
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 53191158
(3-chlorophenyl)-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 95110110
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97416537
1-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 95110122
methyl 3-[[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate
CID 95110295
1-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 95110117
1-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 95110139
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 87054244

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 53191248) is 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is CCn1c(C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc2cccnc21.
What is the InChIKey of 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is YENLOJJXUUNSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-2-28-17(26-16-7-4-9-24-18(16)28)13-8-10-27(12-13)19(29)25-15-6-3-5-14(11-15)20(21,22)23/h3-7,9,11,13H,2,8,10,12H2,1H3,(H,25,29).
What are the key properties of 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 53191248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).