3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C25H26N2O2 — CID 11361175

IUPAC3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1cccc2c(C(C)CN3CC=C(c4c[nH]c5ccccc45)CC3)coc12
InChIInChI=1S/C25H26N2O2/c1-17(22-16-29-25-20(22)7-5-9-24(25)28-2)15-27-12-10-18(11-13-27)21-14-26-23-8-4-3-6-19(21)23/h3-10,14,16-17,26H,11-13,15H2,1-2H3
InChIKeyAJOMKROPHNVIEM-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.82
Rot. Bonds5

About 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 11361175) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID11361175
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1cccc2c(C(C)CN3CC=C(c4c[nH]c5ccccc45)CC3)coc12
InChIInChI=1S/C25H26N2O2/c1-17(22-16-29-25-20(22)7-5-9-24(25)28-2)15-27-12-10-18(11-13-27)21-14-26-23-8-4-3-6-19(21)23/h3-10,14,16-17,26H,11-13,15H2,1-2H3
InChIKeyAJOMKROPHNVIEM-UHFFFAOYSA-N
XLogP5.82
TPSA41.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 11361175) is 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is COc1cccc2c(C(C)CN3CC=C(c4c[nH]c5ccccc45)CC3)coc12.
What is the InChIKey of 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is AJOMKROPHNVIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-17(22-16-29-25-20(22)7-5-9-24(25)28-2)15-27-12-10-18(11-13-27)21-14-26-23-8-4-3-6-19(21)23/h3-10,14,16-17,26H,11-13,15H2,1-2H3.
What are the key properties of 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 386.50 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 11361175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).