6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole

C27H29N5O4 — CID 140928347

IUPAC6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole
SMILESCOC1=Nn2cc(-c3cc4c(OCC5CCCN(c6ccc(C)cn6)C5)cc(OC)cc4o3)nc2C1
InChIInChI=1S/C27H29N5O4/c1-17-6-7-25(28-13-17)31-8-4-5-18(14-31)16-35-22-9-19(33-2)10-23-20(22)11-24(36-23)21-15-32-26(29-21)12-27(30-32)34-3/h6-7,9-11,13,15,18H,4-5,8,12,14,16H2,1-3H3
InChIKeyRRJPYWMIOKAJJS-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.67
Rot. Bonds6

About 6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole

6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole (PubChem CID 140928347) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole.

Molecular Properties

Compound Name6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole
PubChem CID140928347
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole
SMILESCOC1=Nn2cc(-c3cc4c(OCC5CCCN(c6ccc(C)cn6)C5)cc(OC)cc4o3)nc2C1
InChIInChI=1S/C27H29N5O4/c1-17-6-7-25(28-13-17)31-8-4-5-18(14-31)16-35-22-9-19(33-2)10-23-20(22)11-24(36-23)21-15-32-26(29-21)12-27(30-32)34-3/h6-7,9-11,13,15,18H,4-5,8,12,14,16H2,1-3H3
InChIKeyRRJPYWMIOKAJJS-UHFFFAOYSA-N
XLogP4.67
TPSA87.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole with MolForge

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Related Compounds

bis(6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole);methyl 2-[5-[6-methoxy-4-[[6-methylidene-1-(4-methylphenyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate;methyl 2-[5-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate
CID 160856776
2-[3-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 163215722
6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 139293072
5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 163215769
2-methoxy-6-[6-methoxy-4-[[(3R)-1-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 139293044
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820
2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 175227308
tert-butyl N-[4-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]phenyl]carbamate;tert-butyl N-[5-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]-2-pyridinyl]carbamate;tert-butyl 3-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate;2-[4-[[3-[4-[2-(4-ethylphenyl)ethyl]phenyl]cyclohexyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-6-methoxy-7H-imidazo[1,2-b]pyrazole;N-[5-[3-[[6-methoxy-2-(6-methoxy-7H-imidazo[1,2-b]pyrazol-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide;6-methoxy-2-[6-methoxy-4-[[3-(4-methylphenyl)cyclohexyl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole
CID 157178730
2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine
CID 63392190
6-[4-[[(3S)-1-(4-fluorophenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[2-[[2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(1-phenylpiperidin-4-yl)methoxy]-1-benzofuran-6-yl]oxy]ethoxy]imidazo[2,1-b][1,3,4]thiadiazole
CID 166808970
5-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1H-2,1,3-benzothiadiazin-4-amine
CID 153402010
1-[4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]pyrimidin-2-yl]-4-methylpiperidin-3-ol
CID 126683712

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole?
The IUPAC name of 6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole (CID 140928347) is 6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole.
What is the SMILES notation for 6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole?
The canonical SMILES for 6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole is COC1=Nn2cc(-c3cc4c(OCC5CCCN(c6ccc(C)cn6)C5)cc(OC)cc4o3)nc2C1.
What is the InChIKey of 6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole?
The InChIKey is RRJPYWMIOKAJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-17-6-7-25(28-13-17)31-8-4-5-18(14-31)16-35-22-9-19(33-2)10-23-20(22)11-24(36-23)21-15-32-26(29-21)12-27(30-32)34-3/h6-7,9-11,13,15,18H,4-5,8,12,14,16H2,1-3H3.
What are the key properties of 6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole?
6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole has a molecular weight of 487.56 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole is sourced from PubChem (CID 140928347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).