5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one

C24H22N4O2 — CID 22607306

IUPAC5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one
SMILESNC(COc1cncc(-c2ccc3c(c2)CNC3=O)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H22N4O2/c25-19(8-18-11-27-23-4-2-1-3-21(18)23)14-30-20-9-16(10-26-13-20)15-5-6-22-17(7-15)12-28-24(22)29/h1-7,9-11,13,19,27H,8,12,14,25H2,(H,28,29)
InChIKeyCGLJFHZQPIGLCX-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.42
Rot. Bonds6

About 5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one

5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one (PubChem CID 22607306) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one
PubChem CID22607306
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one
SMILESNC(COc1cncc(-c2ccc3c(c2)CNC3=O)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H22N4O2/c25-19(8-18-11-27-23-4-2-1-3-21(18)23)14-30-20-9-16(10-26-13-20)15-5-6-22-17(7-15)12-28-24(22)29/h1-7,9-11,13,19,27H,8,12,14,25H2,(H,28,29)
InChIKeyCGLJFHZQPIGLCX-UHFFFAOYSA-N
XLogP3.42
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1,3-dihydroindol-2-one
CID 10237631
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indole-2,3-dione
CID 23647542
(2R)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]propan-2-amine
CID 10194205
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 23647541
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-1H-isoindol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 153027718
(3Z)-5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(pyridin-2-ylmethylidene)-1H-indol-2-one
CID 23647560
(2S)-1-[[5-(2H-benzotriazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 20744785
4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid
CID 22607536
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 10172943
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-pyridin-4-ylisoquinolin-6-yl)-3-pyridinyl]oxy]propan-2-amine
CID 23647587
[[amino-[4-[5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]methylidene]amino] 2,2,2-trifluoroacetate
CID 173227110
(2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine
CID 10150682

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one (CID 22607306) is 5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one is NC(COc1cncc(-c2ccc3c(c2)CNC3=O)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one?
The InChIKey is CGLJFHZQPIGLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c25-19(8-18-11-27-23-4-2-1-3-21(18)23)14-30-20-9-16(10-26-13-20)15-5-6-22-17(7-15)12-28-24(22)29/h1-7,9-11,13,19,27H,8,12,14,25H2,(H,28,29).
What are the key properties of 5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one?
5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one has a molecular weight of 398.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 22607306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).