[1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

C29H28N4O4S — CID 10052663

IUPAC[1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C(c1cn(C(=O)N2CCOCC2)c2cc(OCc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C29H28N4O4S/c34-27(25-19-38-28(31-25)21-7-4-10-30-16-21)24-17-33(29(35)32-11-13-36-14-12-32)26-15-22(8-9-23(24)26)37-18-20-5-2-1-3-6-20/h1-10,15-17,25,28,31H,11-14,18-19H2/t25-,28?/m0/s1
InChIKeyWFKNYXXKGGWBAY-ALLRNTDFSA-N
MW528.63 g/mol
LogP4.50
Rot. Bonds6

About [1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

[1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10052663) has the molecular formula C29H28N4O4S and a molecular weight of 528.63 g/mol. Its IUPAC name is [1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10052663
Molecular FormulaC29H28N4O4S
Molecular Weight528.63 g/mol
Exact Mass528.18
IUPAC Name[1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C(c1cn(C(=O)N2CCOCC2)c2cc(OCc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C29H28N4O4S/c34-27(25-19-38-28(31-25)21-7-4-10-30-16-21)24-17-33(29(35)32-11-13-36-14-12-32)26-15-22(8-9-23(24)26)37-18-20-5-2-1-3-6-20/h1-10,15-17,25,28,31H,11-14,18-19H2/t25-,28?/m0/s1
InChIKeyWFKNYXXKGGWBAY-ALLRNTDFSA-N
XLogP4.50
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10052663) is [1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is O=C(c1cn(C(=O)N2CCOCC2)c2cc(OCc3ccccc3)ccc12)[C@@H]1CSC(c2cccnc2)N1.
What is the InChIKey of [1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is WFKNYXXKGGWBAY-ALLRNTDFSA-N. The full InChI is InChI=1S/C29H28N4O4S/c34-27(25-19-38-28(31-25)21-7-4-10-30-16-21)24-17-33(29(35)32-11-13-36-14-12-32)26-15-22(8-9-23(24)26)37-18-20-5-2-1-3-6-20/h1-10,15-17,25,28,31H,11-14,18-19H2/t25-,28?/m0/s1.
What are the key properties of [1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
[1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 528.63 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(morpholine-4-carbonyl)-6-phenylmethoxyindol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10052663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).