[6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

C23H20N4O2S — CID 10024932

IUPAC[6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C(c1c[nH]c2cc(OCc3cccnc3)ccc12)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C23H20N4O2S/c28-22(21-14-30-23(27-21)16-4-2-8-25-11-16)19-12-26-20-9-17(5-6-18(19)20)29-13-15-3-1-7-24-10-15/h1-12,21,23,26-27H,13-14H2/t21-,23?/m0/s1
InChIKeyUNLUNCGDJQPVLF-BBQAJUCSSA-N
MW416.51 g/mol
LogP4.12
Rot. Bonds6

About [6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

[6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10024932) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is [6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10024932
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name[6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C(c1c[nH]c2cc(OCc3cccnc3)ccc12)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C23H20N4O2S/c28-22(21-14-30-23(27-21)16-4-2-8-25-11-16)19-12-26-20-9-17(5-6-18(19)20)29-13-15-3-1-7-24-10-15/h1-12,21,23,26-27H,13-14H2/t21-,23?/m0/s1
InChIKeyUNLUNCGDJQPVLF-BBQAJUCSSA-N
XLogP4.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10024932) is [6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is O=C(c1c[nH]c2cc(OCc3cccnc3)ccc12)[C@@H]1CSC(c2cccnc2)N1.
What is the InChIKey of [6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is UNLUNCGDJQPVLF-BBQAJUCSSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-22(21-14-30-23(27-21)16-4-2-8-25-11-16)19-12-26-20-9-17(5-6-18(19)20)29-13-15-3-1-7-24-10-15/h1-12,21,23,26-27H,13-14H2/t21-,23?/m0/s1.
What are the key properties of [6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
[6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 416.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(pyridin-3-ylmethoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10024932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).