4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine

C22H28N4O2S — CID 24994050

IUPAC4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
SMILESCCOc1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1
InChIInChI=1S/C22H28N4O2S/c1-2-28-22-25-20(14-29-22)19-13-24-21-18(19)11-16(12-23-21)15-3-5-17(6-4-15)26-7-9-27-10-8-26/h11-15,17H,2-10H2,1H3,(H,23,24)
InChIKeyXJGKJYYYABDBPF-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.44
Rot. Bonds5

About 4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine

4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine (PubChem CID 24994050) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
PubChem CID24994050
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC Name4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
SMILESCCOc1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1
InChIInChI=1S/C22H28N4O2S/c1-2-28-22-25-20(14-29-22)19-13-24-21-18(19)11-16(12-23-21)15-3-5-17(6-4-15)26-7-9-27-10-8-26/h11-15,17H,2-10H2,1H3,(H,23,24)
InChIKeyXJGKJYYYABDBPF-UHFFFAOYSA-N
XLogP4.44
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
The IUPAC name of 4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine (CID 24994050) is 4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
The canonical SMILES for 4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine is CCOc1nc(-c2c[nH]c3ncc(C4CCC(N5CCOCC5)CC4)cc23)cs1.
What is the InChIKey of 4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
The InChIKey is XJGKJYYYABDBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-2-28-22-25-20(14-29-22)19-13-24-21-18(19)11-16(12-23-21)15-3-5-17(6-4-15)26-7-9-27-10-8-26/h11-15,17H,2-10H2,1H3,(H,23,24).
What are the key properties of 4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine?
4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine has a molecular weight of 412.56 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-ethoxy-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine is sourced from PubChem (CID 24994050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).