1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine

C40H44N6O2 — CID 123982233

IUPAC1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine
SMILES[H]/N=C(/Cc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1)c1ccco1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(C)CC3)c2c1)c1ccco1
InChIInChI=1S/C20H23N3O.C20H21N3O/c2*1-23-8-6-15(7-9-23)17-13-22-19-5-4-14(11-16(17)19)12-18(21)20-3-2-10-24-20/h2-5,10-11,13,15,21-22H,6-9,12H2,1H3;2-6,10-11,13,21-22H,7-9,12H2,1H3/b2*21-18-
InChIKeyYBXIBHFCVNXQQP-BYFDQFJNSA-N
MW640.83 g/mol
LogP8.27
Rot. Bonds8

About 1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine

1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine (PubChem CID 123982233) has the molecular formula C40H44N6O2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine
PubChem CID123982233
Molecular FormulaC40H44N6O2
Molecular Weight640.83 g/mol
Exact Mass640.35
IUPAC Name1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine
SMILES[H]/N=C(/Cc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1)c1ccco1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(C)CC3)c2c1)c1ccco1
InChIInChI=1S/C20H23N3O.C20H21N3O/c2*1-23-8-6-15(7-9-23)17-13-22-19-5-4-14(11-16(17)19)12-18(21)20-3-2-10-24-20/h2-5,10-11,13,15,21-22H,6-9,12H2,1H3;2-6,10-11,13,21-22H,7-9,12H2,1H3/b2*21-18-
InChIKeyYBXIBHFCVNXQQP-BYFDQFJNSA-N
XLogP8.27
TPSA112.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 58.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine with MolForge

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Related Compounds

(3Z)-5-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 16731836
(2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine
CID 46225540
5-{5-[(S)-2-Amino-3-(1h-Indol-3-Yl)-Propoxyl]-Pyridin-3-Yl}-3-[1-(1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One
CID 10310919
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-methyl-2,3-dihydro-1H-indol-2-one
CID 23647551
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-ethyl-2,3-dihydro-1H-indol-2-one
CID 23647552
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(propan-2-ylidene)-2,3-dihydro-1H-indol-2-one
CID 23647554
(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 11751896
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 9978693
3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 10410574
3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11750460

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine?
The IUPAC name of 1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine (CID 123982233) is 1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine.
What is the SMILES notation for 1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine?
The canonical SMILES for 1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine is [H]/N=C(/Cc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1)c1ccco1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(C)CC3)c2c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine?
The InChIKey is YBXIBHFCVNXQQP-BYFDQFJNSA-N. The full InChI is InChI=1S/C20H23N3O.C20H21N3O/c2*1-23-8-6-15(7-9-23)17-13-22-19-5-4-14(11-16(17)19)12-18(21)20-3-2-10-24-20/h2-5,10-11,13,15,21-22H,6-9,12H2,1H3;2-6,10-11,13,21-22H,7-9,12H2,1H3/b2*21-18-.
What are the key properties of 1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine?
1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine has a molecular weight of 640.83 g/mol, XLogP of 8.27, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine is sourced from PubChem (CID 123982233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).