3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine

C20H16N4S — CID 59823455

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(-c2cccnc2)c2scc(-c3ccc4c(c3)CCN4)c12
InChIInChI=1S/C20H16N4S/c21-20-18-16(12-3-4-17-13(8-12)5-7-23-17)11-25-19(18)15(10-24-20)14-2-1-6-22-9-14/h1-4,6,8-11,23H,5,7H2,(H2,21,24)
InChIKeyQWJIHNJRJKZRFY-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.58
Rot. Bonds2

About 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine

3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine (PubChem CID 59823455) has the molecular formula C20H16N4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine
PubChem CID59823455
Molecular FormulaC20H16N4S
Molecular Weight344.44 g/mol
Exact Mass344.11
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(-c2cccnc2)c2scc(-c3ccc4c(c3)CCN4)c12
InChIInChI=1S/C20H16N4S/c21-20-18-16(12-3-4-17-13(8-12)5-7-23-17)11-25-19(18)15(10-24-20)14-2-1-6-22-9-14/h1-4,6,8-11,23H,5,7H2,(H2,21,24)
InChIKeyQWJIHNJRJKZRFY-UHFFFAOYSA-N
XLogP4.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine (CID 59823455) is 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine is Nc1ncc(-c2cccnc2)c2scc(-c3ccc4c(c3)CCN4)c12.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine?
The InChIKey is QWJIHNJRJKZRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4S/c21-20-18-16(12-3-4-17-13(8-12)5-7-23-17)11-25-19(18)15(10-24-20)14-2-1-6-22-9-14/h1-4,6,8-11,23H,5,7H2,(H2,21,24).
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine?
3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine has a molecular weight of 344.44 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 59823455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).