[6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone

C33H30N6O4 — CID 139374286

IUPAC[6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone
SMILESCOc1cc(COc2cccc(-c3ccc(C(=O)N4CCNCC4)cn3)c2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1
InChIInChI=1S/C33H30N6O4/c1-21-6-9-32-36-29(19-39(32)37-21)31-17-27-24(15-26(41-2)16-30(27)43-31)20-42-25-5-3-4-22(14-25)28-8-7-23(18-35-28)33(40)38-12-10-34-11-13-38/h3-9,14-19,34H,10-13,20H2,1-2H3
InChIKeyJMVIOOJRXBTHMR-UHFFFAOYSA-N
MW574.64 g/mol
LogP5.15
Rot. Bonds7

About [6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone

[6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 139374286) has the molecular formula C33H30N6O4 and a molecular weight of 574.64 g/mol. Its IUPAC name is [6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone
PubChem CID139374286
Molecular FormulaC33H30N6O4
Molecular Weight574.64 g/mol
Exact Mass574.23
IUPAC Name[6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone
SMILESCOc1cc(COc2cccc(-c3ccc(C(=O)N4CCNCC4)cn3)c2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1
InChIInChI=1S/C33H30N6O4/c1-21-6-9-32-36-29(19-39(32)37-21)31-17-27-24(15-26(41-2)16-30(27)43-31)20-42-25-5-3-4-22(14-25)28-8-7-23(18-35-28)33(40)38-12-10-34-11-13-38/h3-9,14-19,34H,10-13,20H2,1-2H3
InChIKeyJMVIOOJRXBTHMR-UHFFFAOYSA-N
XLogP5.15
TPSA107.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.64
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

[4-(3-hydroxypropyl)piperazin-1-yl]-[4-[3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]methanone
CID 139372606
tert-butyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139374312
6-[6-methoxy-4-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenoxy]methyl]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 139374283
[4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone
CID 139374142
2-methoxy-6-[6-methoxy-4-[[3-(4-methylsulfonylpiperazin-1-yl)phenoxy]methyl]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 139374128
2-methoxy-6-[6-methoxy-4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118042410
(2,5-dimethylphenyl)-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]methanone
CID 159231155
6-[4-[[3-[(2,6-dimethoxyphenyl)methoxy]phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068713
2-methoxy-6-[6-methoxy-4-[[3-[(2-methyl-3-pyridinyl)methoxy]phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068644
6-[4-[[3-[(2,3-difluorophenyl)methoxy]phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068646
1-(4-iodophenyl)-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone
CID 146703683
4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
CID 130179601

Frequently Asked Questions

What is the IUPAC name of [6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone (CID 139374286) is [6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone is COc1cc(COc2cccc(-c3ccc(C(=O)N4CCNCC4)cn3)c2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.
What is the InChIKey of [6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is JMVIOOJRXBTHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N6O4/c1-21-6-9-32-36-29(19-39(32)37-21)31-17-27-24(15-26(41-2)16-30(27)43-31)20-42-25-5-3-4-22(14-25)28-8-7-23(18-35-28)33(40)38-12-10-34-11-13-38/h3-9,14-19,34H,10-13,20H2,1-2H3.
What are the key properties of [6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone?
[6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 574.64 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 139374286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).