4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide

C25H21N3O3S — CID 54734560

IUPAC4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C25H21N3O3S/c29-22-21(24(30)26-12-10-17-14-27-19-9-5-4-8-18(17)19)25(31)28(20-11-13-32-23(20)22)15-16-6-2-1-3-7-16/h1-9,11,13-14,27,29H,10,12,15H2,(H,26,30)
InChIKeyTZHOHNAHPUALJS-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.27
Rot. Bonds6

About 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide

4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734560) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734560
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC Name4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C25H21N3O3S/c29-22-21(24(30)26-12-10-17-14-27-19-9-5-4-8-18(17)19)25(31)28(20-11-13-32-23(20)22)15-16-6-2-1-3-7-16/h1-9,11,13-14,27,29H,10,12,15H2,(H,26,30)
InChIKeyTZHOHNAHPUALJS-UHFFFAOYSA-N
XLogP4.27
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54734560) is 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1c(O)c2sccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is TZHOHNAHPUALJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c29-22-21(24(30)26-12-10-17-14-27-19-9-5-4-8-18(17)19)25(31)28(20-11-13-32-23(20)22)15-16-6-2-1-3-7-16/h1-9,11,13-14,27,29H,10,12,15H2,(H,26,30).
What are the key properties of 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).