(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C19H20BrN3O3 — CID 91958754

IUPAC(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3oc(Br)cc3n2C)CC1
InChIInChI=1S/C19H20BrN3O3/c1-21-14-12-18(20)26-17(14)11-15(21)19(24)23-9-7-22(8-10-23)13-5-3-4-6-16(13)25-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyKXMJCHZBBASNJI-UHFFFAOYSA-N
MW418.29 g/mol
LogP3.50
Rot. Bonds3

About (2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 91958754) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is (2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID91958754
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC Name(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3oc(Br)cc3n2C)CC1
InChIInChI=1S/C19H20BrN3O3/c1-21-14-12-18(20)26-17(14)11-15(21)19(24)23-9-7-22(8-10-23)13-5-3-4-6-16(13)25-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyKXMJCHZBBASNJI-UHFFFAOYSA-N
XLogP3.50
TPSA50.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperazin-1-yl)-(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)methanone
CID 91958676
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one
CID 53134494
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 91958654
(2-bromo-4-methoxy-1-benzofuran-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 91958123
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(6-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 17012799
(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 986583
[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53006313
[4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42791427
6-bromo-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-2-one
CID 1043849
(2-bromo-4-fluorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9033985

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 91958754) is (2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc3oc(Br)cc3n2C)CC1.
What is the InChIKey of (2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is KXMJCHZBBASNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-21-14-12-18(20)26-17(14)11-15(21)19(24)23-9-7-22(8-10-23)13-5-3-4-6-16(13)25-2/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 418.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91958754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).