[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C20H19F3N4O — CID 53191161

IUPAC[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCCn1c(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)nc2cccnc21
InChIInChI=1S/C20H19F3N4O/c1-2-27-17(25-16-7-4-9-24-18(16)27)14-8-10-26(12-14)19(28)13-5-3-6-15(11-13)20(21,22)23/h3-7,9,11,14H,2,8,10,12H2,1H3
InChIKeyVFCGWTONFMNKHB-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.10
Rot. Bonds3

About [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 53191161) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID53191161
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCCn1c(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)nc2cccnc21
InChIInChI=1S/C20H19F3N4O/c1-2-27-17(25-16-7-4-9-24-18(16)27)14-8-10-26(12-14)19(28)13-5-3-6-15(11-13)20(21,22)23/h3-7,9,11,14H,2,8,10,12H2,1H3
InChIKeyVFCGWTONFMNKHB-UHFFFAOYSA-N
XLogP4.10
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 53191161) is [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is CCn1c(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)nc2cccnc21.
What is the InChIKey of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is VFCGWTONFMNKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-2-27-17(25-16-7-4-9-24-18(16)27)14-8-10-26(12-14)19(28)13-5-3-6-15(11-13)20(21,22)23/h3-7,9,11,14H,2,8,10,12H2,1H3.
What are the key properties of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 388.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 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)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53191161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).