1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine

C23H20N4OS — CID 22607792

IUPAC1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine
SMILESNC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H20N4OS/c24-18(7-16-11-27-21-4-2-1-3-20(16)21)14-28-19-8-17(10-26-12-19)22-9-15-5-6-25-13-23(15)29-22/h1-6,8-13,18,27H,7,14,24H2
InChIKeyGWJHMRBQEUHFOC-UHFFFAOYSA-N
MW400.51 g/mol
LogP4.79
Rot. Bonds6

About 1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine

1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine (PubChem CID 22607792) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine
PubChem CID22607792
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine
SMILESNC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H20N4OS/c24-18(7-16-11-27-21-4-2-1-3-20(16)21)14-28-19-8-17(10-26-12-19)22-9-15-5-6-25-13-23(15)29-22/h1-6,8-13,18,27H,7,14,24H2
InChIKeyGWJHMRBQEUHFOC-UHFFFAOYSA-N
XLogP4.79
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine?
The IUPAC name of 1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine (CID 22607792) is 1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine.
What is the SMILES notation for 1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine?
The canonical SMILES for 1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine is NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine?
The InChIKey is GWJHMRBQEUHFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c24-18(7-16-11-27-21-4-2-1-3-20(16)21)14-28-19-8-17(10-26-12-19)22-9-15-5-6-25-13-23(15)29-22/h1-6,8-13,18,27H,7,14,24H2.
What are the key properties of 1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine?
1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine has a molecular weight of 400.51 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine is sourced from PubChem (CID 22607792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).