3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

C19H21BrN4O3 — CID 91925965

IUPAC3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C(c1ccc(Br)o1)N1CCN(C2CCN(Cc3cccnc3)C2=O)CC1
InChIInChI=1S/C19H21BrN4O3/c20-17-4-3-16(27-17)19(26)23-10-8-22(9-11-23)15-5-7-24(18(15)25)13-14-2-1-6-21-12-14/h1-4,6,12,15H,5,7-11,13H2
InChIKeyVHACGZBEOQOHRV-UHFFFAOYSA-N
MW433.31 g/mol
LogP2.00
Rot. Bonds4

About 3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (PubChem CID 91925965) has the molecular formula C19H21BrN4O3 and a molecular weight of 433.31 g/mol. Its IUPAC name is 3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
PubChem CID91925965
Molecular FormulaC19H21BrN4O3
Molecular Weight433.31 g/mol
Exact Mass432.08
IUPAC Name3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C(c1ccc(Br)o1)N1CCN(C2CCN(Cc3cccnc3)C2=O)CC1
InChIInChI=1S/C19H21BrN4O3/c20-17-4-3-16(27-17)19(26)23-10-8-22(9-11-23)15-5-7-24(18(15)25)13-14-2-1-6-21-12-14/h1-4,6,12,15H,5,7-11,13H2
InChIKeyVHACGZBEOQOHRV-UHFFFAOYSA-N
XLogP2.00
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 91925976
5-bromo-N-[4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 112834519
5-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895864
3-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 91925985
3-[4-(3-fluoro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 91925989
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572656
(3aS,7aS)-2-(pyridazine-4-carbonyl)-5-(pyridin-3-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97403076
(5-bromofuran-2-yl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80678565
2-(pyrazine-2-carbonyl)-5-(pyridin-3-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131654297
[5-(methylsulfanylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 118783397
2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 55200605
4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one
CID 117013986

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (CID 91925965) is 3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is O=C(c1ccc(Br)o1)N1CCN(C2CCN(Cc3cccnc3)C2=O)CC1.
What is the InChIKey of 3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is VHACGZBEOQOHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O3/c20-17-4-3-16(27-17)19(26)23-10-8-22(9-11-23)15-5-7-24(18(15)25)13-14-2-1-6-21-12-14/h1-4,6,12,15H,5,7-11,13H2.
What are the key properties of 3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 433.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 91925965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).