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

C21H17BrN4O2 — CID 87050840

IUPAC(3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C21H17BrN4O2/c22-16-4-1-3-14(11-16)21(27)25-9-6-17(12-25)26-19(15-7-10-28-13-15)24-18-5-2-8-23-20(18)26/h1-5,7-8,10-11,13,17H,6,9,12H2
InChIKeyGOXQSHVIVHMCJV-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.54
Rot. Bonds3

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

(3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050840) has the molecular formula C21H17BrN4O2 and a molecular weight of 437.30 g/mol. Its IUPAC name is (3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050840
Molecular FormulaC21H17BrN4O2
Molecular Weight437.30 g/mol
Exact Mass436.05
IUPAC Name(3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1
InChIInChI=1S/C21H17BrN4O2/c22-16-4-1-3-14(11-16)21(27)25-9-6-17(12-25)26-19(15-7-10-28-13-15)24-18-5-2-8-23-20(18)26/h1-5,7-8,10-11,13,17H,6,9,12H2
InChIKeyGOXQSHVIVHMCJV-UHFFFAOYSA-N
XLogP4.54
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050840) is (3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCC(n2c(-c3ccoc3)nc3cccnc32)C1.
What is the InChIKey of (3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is GOXQSHVIVHMCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O2/c22-16-4-1-3-14(11-16)21(27)25-9-6-17(12-25)26-19(15-7-10-28-13-15)24-18-5-2-8-23-20(18)26/h1-5,7-8,10-11,13,17H,6,9,12H2.
What are the key properties of (3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 437.30 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).