6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole

C24H29N3O2 — CID 156607790

IUPAC6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole
SMILESCOC12CCC(Oc3ccccn3)CC1N(Cc1ccc3ccn(C)c3c1)CC2
InChIInChI=1S/C24H29N3O2/c1-26-13-9-19-7-6-18(15-21(19)26)17-27-14-11-24(28-2)10-8-20(16-22(24)27)29-23-5-3-4-12-25-23/h3-7,9,12-13,15,20,22H,8,10-11,14,16-17H2,1-2H3
InChIKeyOWQMEVXZFJBLLH-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.16
Rot. Bonds5

About 6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole

6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole (PubChem CID 156607790) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole.

Molecular Properties

Compound Name6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole
PubChem CID156607790
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole
SMILESCOC12CCC(Oc3ccccn3)CC1N(Cc1ccc3ccn(C)c3c1)CC2
InChIInChI=1S/C24H29N3O2/c1-26-13-9-19-7-6-18(15-21(19)26)17-27-14-11-24(28-2)10-8-20(16-22(24)27)29-23-5-3-4-12-25-23/h3-7,9,12-13,15,20,22H,8,10-11,14,16-17H2,1-2H3
InChIKeyOWQMEVXZFJBLLH-UHFFFAOYSA-N
XLogP4.16
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole?
The IUPAC name of 6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole (CID 156607790) is 6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole.
What is the SMILES notation for 6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole?
The canonical SMILES for 6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole is COC12CCC(Oc3ccccn3)CC1N(Cc1ccc3ccn(C)c3c1)CC2.
What is the InChIKey of 6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole?
The InChIKey is OWQMEVXZFJBLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-26-13-9-19-7-6-18(15-21(19)26)17-27-14-11-24(28-2)10-8-20(16-22(24)27)29-23-5-3-4-12-25-23/h3-7,9,12-13,15,20,22H,8,10-11,14,16-17H2,1-2H3.
What are the key properties of 6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole?
6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole has a molecular weight of 391.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3a-methoxy-6-pyridin-2-yloxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]-1-methylindole is sourced from PubChem (CID 156607790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).