4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole

C20H23N3O — CID 178091685

IUPAC4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole
SMILESCOc1cccc2[nH]c(-c3ccccn3)c(C[C@H]3CCCN3C)c12
InChIInChI=1S/C20H23N3O/c1-23-12-6-7-14(23)13-15-19-16(9-5-10-18(19)24-2)22-20(15)17-8-3-4-11-21-17/h3-5,8-11,14,22H,6-7,12-13H2,1-2H3/t14-/m1/s1
InChIKeyQGEPQYKHASLYKV-CQSZACIVSA-N
MW321.42 g/mol
LogP3.88
Rot. Bonds4

About 4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole

4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole (PubChem CID 178091685) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole.

Molecular Properties

Compound Name4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole
PubChem CID178091685
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole
SMILESCOc1cccc2[nH]c(-c3ccccn3)c(C[C@H]3CCCN3C)c12
InChIInChI=1S/C20H23N3O/c1-23-12-6-7-14(23)13-15-19-16(9-5-10-18(19)24-2)22-20(15)17-8-3-4-11-21-17/h3-5,8-11,14,22H,6-7,12-13H2,1-2H3/t14-/m1/s1
InChIKeyQGEPQYKHASLYKV-CQSZACIVSA-N
XLogP3.88
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole?
The IUPAC name of 4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole (CID 178091685) is 4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole.
What is the SMILES notation for 4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole?
The canonical SMILES for 4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole is COc1cccc2[nH]c(-c3ccccn3)c(C[C@H]3CCCN3C)c12.
What is the InChIKey of 4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole?
The InChIKey is QGEPQYKHASLYKV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O/c1-23-12-6-7-14(23)13-15-19-16(9-5-10-18(19)24-2)22-20(15)17-8-3-4-11-21-17/h3-5,8-11,14,22H,6-7,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole?
4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole has a molecular weight of 321.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2-pyridin-2-yl-1H-indole is sourced from PubChem (CID 178091685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).