3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide

C21H16F3N5O2 — CID 87050928

IUPAC3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H16F3N5O2/c22-14-9-12(10-15(23)18(14)24)26-21(30)28-7-5-13(11-28)29-19-16(3-1-6-25-19)27-20(29)17-4-2-8-31-17/h1-4,6,8-10,13H,5,7,11H2,(H,26,30)
InChIKeyDORGCRARVCDWHP-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.59
Rot. Bonds3

About 3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide

3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 87050928) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide
PubChem CID87050928
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Name3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H16F3N5O2/c22-14-9-12(10-15(23)18(14)24)26-21(30)28-7-5-13(11-28)29-19-16(3-1-6-25-19)27-20(29)17-4-2-8-31-17/h1-4,6,8-10,13H,5,7,11H2,(H,26,30)
InChIKeyDORGCRARVCDWHP-UHFFFAOYSA-N
XLogP4.59
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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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]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide (CID 87050928) is 3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of 3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is DORGCRARVCDWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c22-14-9-12(10-15(23)18(14)24)26-21(30)28-7-5-13(11-28)29-19-16(3-1-6-25-19)27-20(29)17-4-2-8-31-17/h1-4,6,8-10,13H,5,7,11H2,(H,26,30).
What are the key properties of 3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide?
3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 427.39 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 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]-N-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 87050928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).