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

C21H17BrN4O2 — CID 87050850

IUPAC(4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H17BrN4O2/c22-15-7-5-14(6-8-15)21(27)25-11-9-16(13-25)26-19-17(3-1-10-23-19)24-20(26)18-4-2-12-28-18/h1-8,10,12,16H,9,11,13H2
InChIKeyMTSCGCGICHWIEO-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.54
Rot. Bonds3

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

(4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050850) has the molecular formula C21H17BrN4O2 and a molecular weight of 437.30 g/mol. Its IUPAC name is (4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050850
Molecular FormulaC21H17BrN4O2
Molecular Weight437.30 g/mol
Exact Mass436.05
IUPAC Name(4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C21H17BrN4O2/c22-15-7-5-14(6-8-15)21(27)25-11-9-16(13-25)26-19-17(3-1-10-23-19)24-20(26)18-4-2-12-28-18/h1-8,10,12,16H,9,11,13H2
InChIKeyMTSCGCGICHWIEO-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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Related Compounds

[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95108374
(1-ethylpyrazol-3-yl)-[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 95108385
(3R)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95108517
N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050933
N-[(3-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050941
2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97032980
2-(furan-2-yl)-3-[(3R)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97032979
thiophen-3-yl-[(3S)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108348
(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 87050817
(3-chlorophenyl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108267
N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 44522159
(2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 53186831

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050850) is (4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of (4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is MTSCGCGICHWIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O2/c22-15-7-5-14(6-8-15)21(27)25-11-9-16(13-25)26-19-17(3-1-10-23-19)24-20(26)18-4-2-12-28-18/h1-8,10,12,16H,9,11,13H2.
What are the key properties of (4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(4-bromophenyl)-[3-[2-(furan-2-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 (4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).