[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone

C18H19BrN4O2 — CID 56555537

IUPAC[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3cn4cc(Br)ccc4n3)CC2)o1
InChIInChI=1S/C18H19BrN4O2/c1-13-2-4-16(25-13)18(24)22-8-6-21(7-9-22)11-15-12-23-10-14(19)3-5-17(23)20-15/h2-5,10,12H,6-9,11H2,1H3
InChIKeyFZGZPWZPGWECBI-UHFFFAOYSA-N
MW403.28 g/mol
LogP2.96
Rot. Bonds3

About [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone

[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 56555537) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID56555537
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Name[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3cn4cc(Br)ccc4n3)CC2)o1
InChIInChI=1S/C18H19BrN4O2/c1-13-2-4-16(25-13)18(24)22-8-6-21(7-9-22)11-15-12-23-10-14(19)3-5-17(23)20-15/h2-5,10,12H,6-9,11H2,1H3
InChIKeyFZGZPWZPGWECBI-UHFFFAOYSA-N
XLogP2.96
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methylfuran-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56810132
(5-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97467377
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 134043496
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168072
[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251608
N-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide
CID 56555542
[4-(4-aminobutyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251796
4-[[4-(5-methylfuran-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 31118771
6-bromo-2-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 56555408
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 63393820
(5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770870
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 29421852

Frequently Asked Questions

What is the IUPAC name of [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone (CID 56555537) is [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCN(Cc3cn4cc(Br)ccc4n3)CC2)o1.
What is the InChIKey of [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is FZGZPWZPGWECBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c1-13-2-4-16(25-13)18(24)22-8-6-21(7-9-22)11-15-12-23-10-14(19)3-5-17(23)20-15/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 403.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 56555537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).