3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole

C19H20N2O2 — CID 141312275

IUPAC3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C3=CCN(Cc4ccco4)CC3)c2c1
InChIInChI=1S/C19H20N2O2/c1-22-15-4-5-19-17(11-15)18(12-20-19)14-6-8-21(9-7-14)13-16-3-2-10-23-16/h2-6,10-12,20H,7-9,13H2,1H3
InChIKeyJYPYFLTYYNRKCH-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.06
Rot. Bonds4

About 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole

3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole (PubChem CID 141312275) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole
PubChem CID141312275
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C3=CCN(Cc4ccco4)CC3)c2c1
InChIInChI=1S/C19H20N2O2/c1-22-15-4-5-19-17(11-15)18(12-20-19)14-6-8-21(9-7-14)13-16-3-2-10-23-16/h2-6,10-12,20H,7-9,13H2,1H3
InChIKeyJYPYFLTYYNRKCH-UHFFFAOYSA-N
XLogP4.06
TPSA41.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71939904
5-methoxy-3-[1-[(1-propyltetrazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71940510
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742
5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71925265
3-[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
CID 25197307
cyclopropyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 39545624
[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methylphenyl)methanone
CID 39545583
1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one
CID 167981430
5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole
CID 71942846
1-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfonylpropan-1-one
CID 51122464
1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 39668146

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole?
The IUPAC name of 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole (CID 141312275) is 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(C3=CCN(Cc4ccco4)CC3)c2c1.
What is the InChIKey of 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole?
The InChIKey is JYPYFLTYYNRKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-22-15-4-5-19-17(11-15)18(12-20-19)14-6-8-21(9-7-14)13-16-3-2-10-23-16/h2-6,10-12,20H,7-9,13H2,1H3.
What are the key properties of 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole?
3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole has a molecular weight of 308.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole is sourced from PubChem (CID 141312275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).