(2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine

C24H24N4O — CID 20744797

IUPAC(2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
SMILESCn1cc(C[C@H](N)COc2cncc(/C=C/c3ccncc3)c2)c2ccccc21
InChIInChI=1S/C24H24N4O/c1-28-16-20(23-4-2-3-5-24(23)28)13-21(25)17-29-22-12-19(14-27-15-22)7-6-18-8-10-26-11-9-18/h2-12,14-16,21H,13,17,25H2,1H3/b7-6+/t21-/m0/s1
InChIKeyWSGRIPRDCJLYBR-BXKJMJEDSA-N
MW384.48 g/mol
LogP4.09
Rot. Bonds7

About (2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine

(2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine (PubChem CID 20744797) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is (2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
PubChem CID20744797
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
SMILESCn1cc(C[C@H](N)COc2cncc(/C=C/c3ccncc3)c2)c2ccccc21
InChIInChI=1S/C24H24N4O/c1-28-16-20(23-4-2-3-5-24(23)28)13-21(25)17-29-22-12-19(14-27-15-22)7-6-18-8-10-26-11-9-18/h2-12,14-16,21H,13,17,25H2,1H3/b7-6+/t21-/m0/s1
InChIKeyWSGRIPRDCJLYBR-BXKJMJEDSA-N
XLogP4.09
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine (CID 20744797) is (2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine is Cn1cc(C[C@H](N)COc2cncc(/C=C/c3ccncc3)c2)c2ccccc21.
What is the InChIKey of (2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is WSGRIPRDCJLYBR-BXKJMJEDSA-N. The full InChI is InChI=1S/C24H24N4O/c1-28-16-20(23-4-2-3-5-24(23)28)13-21(25)17-29-22-12-19(14-27-15-22)7-6-18-8-10-26-11-9-18/h2-12,14-16,21H,13,17,25H2,1H3/b7-6+/t21-/m0/s1.
What are the key properties of (2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 384.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-methylindol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 20744797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).