[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone

C21H24N6O2S — CID 176733459

IUPAC[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(N4CCOCC4)nc3)cnc12
InChIInChI=1S/C21H24N6O2S/c22-17-18-20(30-19(17)21(28)27-6-2-1-3-7-27)25-15(13-24-18)14-4-5-16(23-12-14)26-8-10-29-11-9-26/h4-5,12-13H,1-3,6-11,22H2
InChIKeyAULSNWRGZDOZLP-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.80
Rot. Bonds3

About [7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone

[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone (PubChem CID 176733459) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is [7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
PubChem CID176733459
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC Name[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(N4CCOCC4)nc3)cnc12
InChIInChI=1S/C21H24N6O2S/c22-17-18-20(30-19(17)21(28)27-6-2-1-3-7-27)25-15(13-24-18)14-4-5-16(23-12-14)26-8-10-29-11-9-26/h4-5,12-13H,1-3,6-11,22H2
InChIKeyAULSNWRGZDOZLP-UHFFFAOYSA-N
XLogP2.80
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone (CID 176733459) is [7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone is Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(N4CCOCC4)nc3)cnc12.
What is the InChIKey of [7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is AULSNWRGZDOZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c22-17-18-20(30-19(17)21(28)27-6-2-1-3-7-27)25-15(13-24-18)14-4-5-16(23-12-14)26-8-10-29-11-9-26/h4-5,12-13H,1-3,6-11,22H2.
What are the key properties of [7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 424.53 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-amino-3-(6-morpholin-4-yl-3-pyridinyl)thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 176733459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).