2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine

C26H32N4O2 — CID 110263929

IUPAC2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine
SMILESCCOc1cc2c(cc1CN1CCC(c3ccc(-c4cnn(C)c4)cn3)CC1)OC(C)C2
InChIInChI=1S/C26H32N4O2/c1-4-31-25-12-21-11-18(2)32-26(21)13-22(25)17-30-9-7-19(8-10-30)24-6-5-20(14-27-24)23-15-28-29(3)16-23/h5-6,12-16,18-19H,4,7-11,17H2,1-3H3
InChIKeyLQZLHVXHIDBCEJ-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.58
Rot. Bonds6

About 2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine

2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine (PubChem CID 110263929) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine
PubChem CID110263929
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine
SMILESCCOc1cc2c(cc1CN1CCC(c3ccc(-c4cnn(C)c4)cn3)CC1)OC(C)C2
InChIInChI=1S/C26H32N4O2/c1-4-31-25-12-21-11-18(2)32-26(21)13-22(25)17-30-9-7-19(8-10-30)24-6-5-20(14-27-24)23-15-28-29(3)16-23/h5-6,12-16,18-19H,4,7-11,17H2,1-3H3
InChIKeyLQZLHVXHIDBCEJ-UHFFFAOYSA-N
XLogP4.58
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine
CID 126772238
1-[4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperazin-1-yl]ethanone
CID 95348368
2-[1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperidin-4-yl]acetamide
CID 129370811
1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-3-ol
CID 110882083
3-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 110262034
3-[1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 92625349
2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
CID 78827696
1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrazole-4-carboxamide
CID 97101165
1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967110
1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-methylsulfonyl-1,4-diazepane
CID 78860974
[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium
CID 7129379
1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 25444106

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine?
The IUPAC name of 2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine (CID 110263929) is 2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine is CCOc1cc2c(cc1CN1CCC(c3ccc(-c4cnn(C)c4)cn3)CC1)OC(C)C2.
What is the InChIKey of 2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine?
The InChIKey is LQZLHVXHIDBCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-31-25-12-21-11-18(2)32-26(21)13-22(25)17-30-9-7-19(8-10-30)24-6-5-20(14-27-24)23-15-28-29(3)16-23/h5-6,12-16,18-19H,4,7-11,17H2,1-3H3.
What are the key properties of 2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine?
2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine has a molecular weight of 432.57 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 110263929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).