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

C28H24N4O2S — CID 45482466

IUPAC5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-thiophen-2-yl-1,3-dihydroindol-2-one
SMILESN[C@H](COc1cncc(-c2ccc3c(c2)C(c2cccs2)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C28H24N4O2S/c29-20(10-19-14-31-24-5-2-1-4-22(19)24)16-34-21-11-18(13-30-15-21)17-7-8-25-23(12-17)27(28(33)32-25)26-6-3-9-35-26/h1-9,11-15,20,27,31H,10,16,29H2,(H,32,33)/t20-,27?/m0/s1
InChIKeyVHKOLGNBWBIWAS-SVQMELKDSA-N
MW480.59 g/mol
LogP5.32
Rot. Bonds7

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

5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-thiophen-2-yl-1,3-dihydroindol-2-one (PubChem CID 45482466) has the molecular formula C28H24N4O2S and a molecular weight of 480.59 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-thiophen-2-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-thiophen-2-yl-1,3-dihydroindol-2-one
PubChem CID45482466
Molecular FormulaC28H24N4O2S
Molecular Weight480.59 g/mol
Exact Mass480.16
IUPAC Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-thiophen-2-yl-1,3-dihydroindol-2-one
SMILESN[C@H](COc1cncc(-c2ccc3c(c2)C(c2cccs2)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C28H24N4O2S/c29-20(10-19-14-31-24-5-2-1-4-22(19)24)16-34-21-11-18(13-30-15-21)17-7-8-25-23(12-17)27(28(33)32-25)26-6-3-9-35-26/h1-9,11-15,20,27,31H,10,16,29H2,(H,32,33)/t20-,27?/m0/s1
InChIKeyVHKOLGNBWBIWAS-SVQMELKDSA-N
XLogP5.32
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-thiophen-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-thiophen-2-yl-1,3-dihydroindol-2-one (CID 45482466) is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-thiophen-2-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-thiophen-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-thiophen-2-yl-1,3-dihydroindol-2-one is N[C@H](COc1cncc(-c2ccc3c(c2)C(c2cccs2)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-thiophen-2-yl-1,3-dihydroindol-2-one?
The InChIKey is VHKOLGNBWBIWAS-SVQMELKDSA-N. The full InChI is InChI=1S/C28H24N4O2S/c29-20(10-19-14-31-24-5-2-1-4-22(19)24)16-34-21-11-18(13-30-15-21)17-7-8-25-23(12-17)27(28(33)32-25)26-6-3-9-35-26/h1-9,11-15,20,27,31H,10,16,29H2,(H,32,33)/t20-,27?/m0/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-thiophen-2-yl-1,3-dihydroindol-2-one?
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-thiophen-2-yl-1,3-dihydroindol-2-one has a molecular weight of 480.59 g/mol, XLogP of 5.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 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-thiophen-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 45482466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).