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

C22H17F3N4O2 — CID 53166429

IUPAC[3-[2-(furan-2-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(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)15-7-5-14(6-8-15)21(30)28-11-9-16(13-28)29-19-17(3-1-10-26-19)27-20(29)18-4-2-12-31-18/h1-8,10,12,16H,9,11,13H2
InChIKeyOXSVDFAUMLFGRK-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.80
Rot. Bonds3

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

[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 53166429) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID53166429
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name[3-[2-(furan-2-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(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)15-7-5-14(6-8-15)21(30)28-11-9-16(13-28)29-19-17(3-1-10-26-19)27-20(29)18-4-2-12-31-18/h1-8,10,12,16H,9,11,13H2
InChIKeyOXSVDFAUMLFGRK-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

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 53166429) is [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-[2-(furan-2-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(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is OXSVDFAUMLFGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c23-22(24,25)15-7-5-14(6-8-15)21(30)28-11-9-16(13-28)29-19-17(3-1-10-26-19)27-20(29)18-4-2-12-31-18/h1-8,10,12,16H,9,11,13H2.
What are the key properties of [3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[3-[2-(furan-2-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-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53166429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).