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

C21H17F2N5O2 — CID 87050933

IUPACN-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H17F2N5O2/c22-13-5-6-15(23)17(11-13)26-21(29)27-9-7-14(12-27)28-19-16(3-1-8-24-19)25-20(28)18-4-2-10-30-18/h1-6,8,10-11,14H,7,9,12H2,(H,26,29)
InChIKeyOZVUUEBWLJLICH-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.45
Rot. Bonds3

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

N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 87050933) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
PubChem CID87050933
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC NameN-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H17F2N5O2/c22-13-5-6-15(23)17(11-13)26-21(29)27-9-7-14(12-27)28-19-16(3-1-8-24-19)25-20(28)18-4-2-10-30-18/h1-6,8,10-11,14H,7,9,12H2,(H,26,29)
InChIKeyOZVUUEBWLJLICH-UHFFFAOYSA-N
XLogP4.45
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide (CID 87050933) is N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is O=C(Nc1cc(F)ccc1F)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is OZVUUEBWLJLICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c22-13-5-6-15(23)17(11-13)26-21(29)27-9-7-14(12-27)28-19-16(3-1-8-24-19)25-20(28)18-4-2-10-30-18/h1-6,8,10-11,14H,7,9,12H2,(H,26,29).
What are the key properties of N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide?
N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87050933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).