[[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol

C24H25N3O3 — CID 155895025

IUPAC[[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol
SMILESOCN=C1CCc2cc(-c3cc(CN4CCOCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C24H25N3O3/c28-16-26-23-4-2-18-13-19(1-3-21(18)23)22-14-20(15-27-9-11-29-12-10-27)30-24(22)17-5-7-25-8-6-17/h1,3,5-8,13-14,28H,2,4,9-12,15-16H2
InChIKeyRGNQWHHFBWLJSK-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.53
Rot. Bonds5

About [[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol

[[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol (PubChem CID 155895025) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is [[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol.

Molecular Properties

Compound Name[[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol
PubChem CID155895025
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name[[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol
SMILESOCN=C1CCc2cc(-c3cc(CN4CCOCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C24H25N3O3/c28-16-26-23-4-2-18-13-19(1-3-21(18)23)22-14-20(15-27-9-11-29-12-10-27)30-24(22)17-5-7-25-8-6-17/h1,3,5-8,13-14,28H,2,4,9-12,15-16H2
InChIKeyRGNQWHHFBWLJSK-UHFFFAOYSA-N
XLogP3.53
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol?
The IUPAC name of [[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol (CID 155895025) is [[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol.
What is the SMILES notation for [[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol?
The canonical SMILES for [[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol is OCN=C1CCc2cc(-c3cc(CN4CCOCC4)oc3-c3ccncc3)ccc21.
What is the InChIKey of [[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol?
The InChIKey is RGNQWHHFBWLJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-16-26-23-4-2-18-13-19(1-3-21(18)23)22-14-20(15-27-9-11-29-12-10-27)30-24(22)17-5-7-25-8-6-17/h1,3,5-8,13-14,28H,2,4,9-12,15-16H2.
What are the key properties of [[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol?
[[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol has a molecular weight of 403.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]amino]methanol is sourced from PubChem (CID 155895025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).