(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine

C23H22N4O — CID 10287078

IUPAC(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(/C=C/c2ccccn2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H22N4O/c24-19(12-18-14-27-23-7-2-1-6-22(18)23)16-28-21-11-17(13-25-15-21)8-9-20-5-3-4-10-26-20/h1-11,13-15,19,27H,12,16,24H2/b9-8+/t19-/m0/s1
InChIKeyMSVVYLQWZPJLAK-SGQUHAKNSA-N
MW370.46 g/mol
LogP4.08
Rot. Bonds7

About (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine

(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine (PubChem CID 10287078) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
PubChem CID10287078
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(/C=C/c2ccccn2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H22N4O/c24-19(12-18-14-27-23-7-2-1-6-22(18)23)16-28-21-11-17(13-25-15-21)8-9-20-5-3-4-10-26-20/h1-11,13-15,19,27H,12,16,24H2/b9-8+/t19-/m0/s1
InChIKeyMSVVYLQWZPJLAK-SGQUHAKNSA-N
XLogP4.08
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(3Z)-5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(pyridin-2-ylmethylidene)-1H-indol-2-one
CID 23647560
(2R)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]propan-2-amine
CID 10194205
(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-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine
CID 10150682
4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one
CID 22607605
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 10172943
5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one
CID 22607306
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-1H-isoindol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 153027718
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-pyridin-4-ylisoquinolin-6-yl)-3-pyridinyl]oxy]propan-2-amine
CID 23647587
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indole-2,3-dione
CID 23647542
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 23647541

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine (CID 10287078) is (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine is N[C@H](COc1cncc(/C=C/c2ccccn2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is MSVVYLQWZPJLAK-SGQUHAKNSA-N. The full InChI is InChI=1S/C23H22N4O/c24-19(12-18-14-27-23-7-2-1-6-22(18)23)16-28-21-11-17(13-25-15-21)8-9-20-5-3-4-10-26-20/h1-11,13-15,19,27H,12,16,24H2/b9-8+/t19-/m0/s1.
What are the key properties of (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 370.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 10287078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).