1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone

C22H18N2O3 — CID 58167836

IUPAC1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone
SMILESCc1ccoc1C(=O)Cc1ccc(Oc2ccnc(-c3ccc[nH]3)c2)cc1
InChIInChI=1S/C22H18N2O3/c1-15-9-12-26-22(15)21(25)13-16-4-6-17(7-5-16)27-18-8-11-24-20(14-18)19-3-2-10-23-19/h2-12,14,23H,13H2,1H3
InChIKeyTUUQIMBMNYCXJD-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.20
Rot. Bonds6

About 1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone

1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone (PubChem CID 58167836) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone
PubChem CID58167836
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone
SMILESCc1ccoc1C(=O)Cc1ccc(Oc2ccnc(-c3ccc[nH]3)c2)cc1
InChIInChI=1S/C22H18N2O3/c1-15-9-12-26-22(15)21(25)13-16-4-6-17(7-5-16)27-18-8-11-24-20(14-18)19-3-2-10-23-19/h2-12,14,23H,13H2,1H3
InChIKeyTUUQIMBMNYCXJD-UHFFFAOYSA-N
XLogP5.20
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone with MolForge

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Related Compounds

2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799512
2-(3-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 61079154
4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide
CID 118069716
methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate
CID 51001380
1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]propan-2-one
CID 58272944
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-methylfuran-2-carboxylate
CID 18099058
5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1H-pyrrole-3-carboxamide
CID 91808717
tert-butyl 4-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrol-3-yl]methylamino]butanoate
CID 123379948
3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one
CID 104799534
[methyl-[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino] acetate
CID 87246473
N-[3-[[2-[4-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-methylfuran-2-carboxamide
CID 75599352
1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone
CID 61054256

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone?
The IUPAC name of 1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone (CID 58167836) is 1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone?
The canonical SMILES for 1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone is Cc1ccoc1C(=O)Cc1ccc(Oc2ccnc(-c3ccc[nH]3)c2)cc1.
What is the InChIKey of 1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone?
The InChIKey is TUUQIMBMNYCXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-15-9-12-26-22(15)21(25)13-16-4-6-17(7-5-16)27-18-8-11-24-20(14-18)19-3-2-10-23-19/h2-12,14,23H,13H2,1H3.
What are the key properties of 1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone?
1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone has a molecular weight of 358.40 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)-2-[4-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]ethanone is sourced from PubChem (CID 58167836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).