3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole

C24H28N2O2 — CID 155549528

IUPAC3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole
SMILESCOc1ccc(CN2CC=C(c3c[nH]c4ccc(OC(C)C)cc34)CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-17(2)28-21-8-9-24-22(14-21)23(15-25-24)19-10-12-26(13-11-19)16-18-4-6-20(27-3)7-5-18/h4-10,14-15,17,25H,11-13,16H2,1-3H3
InChIKeyAAPNNVKAQPYKAA-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.25
Rot. Bonds6

About 3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole

3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole (PubChem CID 155549528) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole.

Molecular Properties

Compound Name3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole
PubChem CID155549528
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole
SMILESCOc1ccc(CN2CC=C(c3c[nH]c4ccc(OC(C)C)cc34)CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-17(2)28-21-8-9-24-22(14-21)23(15-25-24)19-10-12-26(13-11-19)16-18-4-6-20(27-3)7-5-18/h4-10,14-15,17,25H,11-13,16H2,1-3H3
InChIKeyAAPNNVKAQPYKAA-UHFFFAOYSA-N
XLogP5.25
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole?
The IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole (CID 155549528) is 3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole.
What is the SMILES notation for 3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole?
The canonical SMILES for 3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole is COc1ccc(CN2CC=C(c3c[nH]c4ccc(OC(C)C)cc34)CC2)cc1.
What is the InChIKey of 3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole?
The InChIKey is AAPNNVKAQPYKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17(2)28-21-8-9-24-22(14-21)23(15-25-24)19-10-12-26(13-11-19)16-18-4-6-20(27-3)7-5-18/h4-10,14-15,17,25H,11-13,16H2,1-3H3.
What are the key properties of 3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole?
3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole has a molecular weight of 376.50 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propan-2-yloxy-1H-indole is sourced from PubChem (CID 155549528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).