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

C22H17F3N4O2 — CID 53166428

IUPAC[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)16-5-3-14(4-6-16)21(30)28-10-7-17(12-28)29-19(15-8-11-31-13-15)27-18-2-1-9-26-20(18)29/h1-6,8-9,11,13,17H,7,10,12H2
InChIKeyKFHRHGSWFQRHBG-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.80
Rot. Bonds3

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

[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 53166428) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID53166428
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)16-5-3-14(4-6-16)21(30)28-10-7-17(12-28)29-19(15-8-11-31-13-15)27-18-2-1-9-26-20(18)29/h1-6,8-9,11,13,17H,7,10,12H2
InChIKeyKFHRHGSWFQRHBG-UHFFFAOYSA-N
XLogP4.80
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 53166428) is [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1.
What is the InChIKey of [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is KFHRHGSWFQRHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c23-22(24,25)16-5-3-14(4-6-16)21(30)28-10-7-17(12-28)29-19(15-8-11-31-13-15)27-18-2-1-9-26-20(18)29/h1-6,8-9,11,13,17H,7,10,12H2.
What are the key properties of [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 426.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53166428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).