5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole

C20H23N3O — CID 178091791

IUPAC5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(-c2cccnc2)[nH]c2ccc(OC)cc12
InChIInChI=1S/C20H23N3O/c1-23-10-4-6-15(23)11-18-17-12-16(24-2)7-8-19(17)22-20(18)14-5-3-9-21-13-14/h3,5,7-9,12-13,15,22H,4,6,10-11H2,1-2H3/t15-/m1/s1/i1D3
InChIKeySEURSHMSXCESDC-DDOHFVCQSA-N
MW324.44 g/mol
LogP3.88
Rot. Bonds5

About 5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole

5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 178091791) has the molecular formula C20H23N3O and a molecular weight of 324.44 g/mol. Its IUPAC name is 5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID178091791
Molecular FormulaC20H23N3O
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(-c2cccnc2)[nH]c2ccc(OC)cc12
InChIInChI=1S/C20H23N3O/c1-23-10-4-6-15(23)11-18-17-12-16(24-2)7-8-19(17)22-20(18)14-5-3-9-21-13-14/h3,5,7-9,12-13,15,22H,4,6,10-11H2,1-2H3/t15-/m1/s1/i1D3
InChIKeySEURSHMSXCESDC-DDOHFVCQSA-N
XLogP3.88
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (CID 178091791) is 5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is [2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(-c2cccnc2)[nH]c2ccc(OC)cc12.
What is the InChIKey of 5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is SEURSHMSXCESDC-DDOHFVCQSA-N. The full InChI is InChI=1S/C20H23N3O/c1-23-10-4-6-15(23)11-18-17-12-16(24-2)7-8-19(17)22-20(18)14-5-3-9-21-13-14/h3,5,7-9,12-13,15,22H,4,6,10-11H2,1-2H3/t15-/m1/s1/i1D3.
What are the key properties of 5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 324.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyridin-3-yl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 178091791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).