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

C21H16F2N4O2 — CID 87050859

IUPAC(3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H16F2N4O2/c22-14-9-13(10-15(23)11-14)21(28)26-7-5-16(12-26)27-19-17(3-1-6-24-19)25-20(27)18-4-2-8-29-18/h1-4,6,8-11,16H,5,7,12H2
InChIKeyYCZBGYNXPNZCHC-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.06
Rot. Bonds3

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

(3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050859) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050859
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name(3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H16F2N4O2/c22-14-9-13(10-15(23)11-14)21(28)26-7-5-16(12-26)27-19-17(3-1-6-24-19)25-20(27)18-4-2-8-29-18/h1-4,6,8-11,16H,5,7,12H2
InChIKeyYCZBGYNXPNZCHC-UHFFFAOYSA-N
XLogP4.06
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050859) is (3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is O=C(c1cc(F)cc(F)c1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of (3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is YCZBGYNXPNZCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c22-14-9-13(10-15(23)11-14)21(28)26-7-5-16(12-26)27-19-17(3-1-6-24-19)25-20(27)18-4-2-8-29-18/h1-4,6,8-11,16H,5,7,12H2.
What are the key properties of (3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 394.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).