(2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol

C22H27N3O2S — CID 59871011

IUPAC(2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol
SMILESCCN1CCN(c2nc(-c3ccc(OC[C@@H](C)O)cc3)cc3ccsc23)CC1
InChIInChI=1S/C22H27N3O2S/c1-3-24-9-11-25(12-10-24)22-21-18(8-13-28-21)14-20(23-22)17-4-6-19(7-5-17)27-15-16(2)26/h4-8,13-14,16,26H,3,9-12,15H2,1-2H3/t16-/m1/s1
InChIKeyMJIYSONNKZOIMI-MRXNPFEDSA-N
MW397.54 g/mol
LogP3.86
Rot. Bonds6

About (2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol

(2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol (PubChem CID 59871011) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is (2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol
PubChem CID59871011
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name(2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol
SMILESCCN1CCN(c2nc(-c3ccc(OC[C@@H](C)O)cc3)cc3ccsc23)CC1
InChIInChI=1S/C22H27N3O2S/c1-3-24-9-11-25(12-10-24)22-21-18(8-13-28-21)14-20(23-22)17-4-6-19(7-5-17)27-15-16(2)26/h4-8,13-14,16,26H,3,9-12,15H2,1-2H3/t16-/m1/s1
InChIKeyMJIYSONNKZOIMI-MRXNPFEDSA-N
XLogP3.86
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol (CID 59871011) is (2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol is CCN1CCN(c2nc(-c3ccc(OC[C@@H](C)O)cc3)cc3ccsc23)CC1.
What is the InChIKey of (2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol?
The InChIKey is MJIYSONNKZOIMI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-3-24-9-11-25(12-10-24)22-21-18(8-13-28-21)14-20(23-22)17-4-6-19(7-5-17)27-15-16(2)26/h4-8,13-14,16,26H,3,9-12,15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol?
(2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol has a molecular weight of 397.54 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 59871011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).