(4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone

C21H24BrN3O2 — CID 91959090

IUPAC(4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc3oc(Br)cc3n2Cc2ccccc2)CC1
InChIInChI=1S/C21H24BrN3O2/c1-2-8-23-9-11-24(12-10-23)21(26)18-13-19-17(14-20(22)27-19)25(18)15-16-6-4-3-5-7-16/h3-7,13-14H,2,8-12,15H2,1H3
InChIKeyUUKBTYNQQTYYPO-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.21
Rot. Bonds5

About (4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone

(4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 91959090) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is (4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone
PubChem CID91959090
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name(4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc3oc(Br)cc3n2Cc2ccccc2)CC1
InChIInChI=1S/C21H24BrN3O2/c1-2-8-23-9-11-24(12-10-23)21(26)18-13-19-17(14-20(22)27-19)25(18)15-16-6-4-3-5-7-16/h3-7,13-14H,2,8-12,15H2,1H3
InChIKeyUUKBTYNQQTYYPO-UHFFFAOYSA-N
XLogP4.21
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)methanone
CID 91958676
(4-benzylpiperazin-1-yl)-[2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]methanone
CID 42791548
[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 91958848
ethyl 1-(4-benzyl-2-methylfuro[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxylate
CID 3553290
(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 42791174
[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42791656
azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone
CID 91958893
(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42806101
4-benzyl-2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 91959049
4-benzyl-2-bromo-N-(2-propan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959057
(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 91958654
[1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 93123879

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone (CID 91959090) is (4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cc3oc(Br)cc3n2Cc2ccccc2)CC1.
What is the InChIKey of (4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is UUKBTYNQQTYYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-2-8-23-9-11-24(12-10-23)21(26)18-13-19-17(14-20(22)27-19)25(18)15-16-6-4-3-5-7-16/h3-7,13-14H,2,8-12,15H2,1H3.
What are the key properties of (4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone?
(4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 430.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 91959090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).