1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone

C26H26N4O4 — CID 44815643

IUPAC1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)cc2cc1Oc1ccc(OCCO)nc1
InChIInChI=1S/C26H26N4O4/c1-17(32)30-10-4-6-24(30)20-15-22-18(13-23(29-22)21-5-2-3-9-27-21)14-25(20)34-19-7-8-26(28-16-19)33-12-11-31/h2-3,5,7-9,13-16,24,29,31H,4,6,10-12H2,1H3/t24-/m1/s1
InChIKeyFVSPTVHEESNCQH-XMMPIXPASA-N
MW458.52 g/mol
LogP4.47
Rot. Bonds7

About 1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone (PubChem CID 44815643) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone
PubChem CID44815643
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)cc2cc1Oc1ccc(OCCO)nc1
InChIInChI=1S/C26H26N4O4/c1-17(32)30-10-4-6-24(30)20-15-22-18(13-23(29-22)21-5-2-3-9-27-21)14-25(20)34-19-7-8-26(28-16-19)33-12-11-31/h2-3,5,7-9,13-16,24,29,31H,4,6,10-12H2,1H3/t24-/m1/s1
InChIKeyFVSPTVHEESNCQH-XMMPIXPASA-N
XLogP4.47
TPSA100.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone
CID 44815983
1-[5-[[6-[(2R)-1-acetylpyrrolidin-2-yl]-2-pyrazin-2-yl-1H-indol-5-yl]oxy]-2-pyridinyl]butan-1-one
CID 149040417
1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145233
1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145202
3-[5-[[6-(1-acetylpyrrolidin-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 23145328
1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145517
1-[2-[2-pyridin-2-yl-6-[4-(pyrrolidine-1-carbonyl)phenoxy]-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145126
1-[2-[6-(3-fluoro-4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145182
[6-(1-acetylpyrrolidin-2-yl)-5-[4-(difluoromethyl)phenoxy]-2-pyridin-2-ylbenzimidazol-1-yl] 2,2,2-trifluoroacetate
CID 67482951
2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
CID 129096546
methyl 6-[6-(1-acetylpyrrolidin-2-yl)-5-(4-methylsulfonylphenoxy)-1H-benzimidazol-2-yl]pyridine-3-carboxylate
CID 23145539
1-[(2R,4R)-4-hydroxy-2-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 67482427

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone (CID 44815643) is 1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)cc2cc1Oc1ccc(OCCO)nc1.
What is the InChIKey of 1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is FVSPTVHEESNCQH-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26N4O4/c1-17(32)30-10-4-6-24(30)20-15-22-18(13-23(29-22)21-5-2-3-9-27-21)14-25(20)34-19-7-8-26(28-16-19)33-12-11-31/h2-3,5,7-9,13-16,24,29,31H,4,6,10-12H2,1H3/t24-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 458.52 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-[[6-(2-hydroxyethoxy)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 44815643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).