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

C32H27N5O2 — CID 45482056

IUPAC5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one
SMILESN[C@H](COc1cncc(-c2ccc3c(c2)C(c2c[nH]c4ccccc24)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C32H27N5O2/c33-22(11-21-15-35-28-7-3-1-5-24(21)28)18-39-23-12-20(14-34-16-23)19-9-10-30-26(13-19)31(32(38)37-30)27-17-36-29-8-4-2-6-25(27)29/h1-10,12-17,22,31,35-36H,11,18,33H2,(H,37,38)/t22-,31?/m0/s1
InChIKeyGUYJHASVHZWTMS-DEUJGTPJSA-N
MW513.60 g/mol
LogP5.74
Rot. Bonds7

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

5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one (PubChem CID 45482056) has the molecular formula C32H27N5O2 and a molecular weight of 513.60 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one
PubChem CID45482056
Molecular FormulaC32H27N5O2
Molecular Weight513.60 g/mol
Exact Mass513.22
IUPAC Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one
SMILESN[C@H](COc1cncc(-c2ccc3c(c2)C(c2c[nH]c4ccccc24)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C32H27N5O2/c33-22(11-21-15-35-28-7-3-1-5-24(21)28)18-39-23-12-20(14-34-16-23)19-9-10-30-26(13-19)31(32(38)37-30)27-17-36-29-8-4-2-6-25(27)29/h1-10,12-17,22,31,35-36H,11,18,33H2,(H,37,38)/t22-,31?/m0/s1
InChIKeyGUYJHASVHZWTMS-DEUJGTPJSA-N
XLogP5.74
TPSA108.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 55.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one (CID 45482056) is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one is N[C@H](COc1cncc(-c2ccc3c(c2)C(c2c[nH]c4ccccc24)C(=O)N3)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one?
The InChIKey is GUYJHASVHZWTMS-DEUJGTPJSA-N. The full InChI is InChI=1S/C32H27N5O2/c33-22(11-21-15-35-28-7-3-1-5-24(21)28)18-39-23-12-20(14-34-16-23)19-9-10-30-26(13-19)31(32(38)37-30)27-17-36-29-8-4-2-6-25(27)29/h1-10,12-17,22,31,35-36H,11,18,33H2,(H,37,38)/t22-,31?/m0/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one?
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one has a molecular weight of 513.60 g/mol, XLogP of 5.74, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 45482056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).