7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine

C22H28N4O2S — CID 20720222

IUPAC7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine
SMILESCCN1CCN(c2nc(-c3ccc(OC(C)COC)nc3)cc3ccsc23)CC1
InChIInChI=1S/C22H28N4O2S/c1-4-25-8-10-26(11-9-25)22-21-17(7-12-29-21)13-19(24-22)18-5-6-20(23-14-18)28-16(2)15-27-3/h5-7,12-14,16H,4,8-11,15H2,1-3H3
InChIKeyKJJBFCLUMKAPTC-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.91
Rot. Bonds7

About 7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine

7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine (PubChem CID 20720222) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine
PubChem CID20720222
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC Name7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine
SMILESCCN1CCN(c2nc(-c3ccc(OC(C)COC)nc3)cc3ccsc23)CC1
InChIInChI=1S/C22H28N4O2S/c1-4-25-8-10-26(11-9-25)22-21-17(7-12-29-21)13-19(24-22)18-5-6-20(23-14-18)28-16(2)15-27-3/h5-7,12-14,16H,4,8-11,15H2,1-3H3
InChIKeyKJJBFCLUMKAPTC-UHFFFAOYSA-N
XLogP3.91
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine?
The IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine (CID 20720222) is 7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine.
What is the SMILES notation for 7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine?
The canonical SMILES for 7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine is CCN1CCN(c2nc(-c3ccc(OC(C)COC)nc3)cc3ccsc23)CC1.
What is the InChIKey of 7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine?
The InChIKey is KJJBFCLUMKAPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-4-25-8-10-26(11-9-25)22-21-17(7-12-29-21)13-19(24-22)18-5-6-20(23-14-18)28-16(2)15-27-3/h5-7,12-14,16H,4,8-11,15H2,1-3H3.
What are the key properties of 7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine?
7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine has a molecular weight of 412.56 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine is sourced from PubChem (CID 20720222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).