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

C22H19FN4O3 — CID 87050842

IUPAC(3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(n3c(-c4ccoc4)nc4cccnc43)C2)cc1F
InChIInChI=1S/C22H19FN4O3/c1-29-19-5-4-14(11-17(19)23)22(28)26-9-6-16(12-26)27-20(15-7-10-30-13-15)25-18-3-2-8-24-21(18)27/h2-5,7-8,10-11,13,16H,6,9,12H2,1H3
InChIKeyZOAUVBVGFDUXCB-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.93
Rot. Bonds4

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

(3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050842) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050842
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name(3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(n3c(-c4ccoc4)nc4cccnc43)C2)cc1F
InChIInChI=1S/C22H19FN4O3/c1-29-19-5-4-14(11-17(19)23)22(28)26-9-6-16(12-26)27-20(15-7-10-30-13-15)25-18-3-2-8-24-21(18)27/h2-5,7-8,10-11,13,16H,6,9,12H2,1H3
InChIKeyZOAUVBVGFDUXCB-UHFFFAOYSA-N
XLogP3.93
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050842) is (3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(n3c(-c4ccoc4)nc4cccnc43)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is ZOAUVBVGFDUXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-29-19-5-4-14(11-17(19)23)22(28)26-9-6-16(12-26)27-20(15-7-10-30-13-15)25-18-3-2-8-24-21(18)27/h2-5,7-8,10-11,13,16H,6,9,12H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 406.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).