(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone

C18H18N4OS — CID 169103297

IUPAC(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc(-c3ccccc3)cnc12
InChIInChI=1S/C18H18N4OS/c19-14-15-17(21-13(11-20-15)12-7-3-1-4-8-12)24-16(14)18(23)22-9-5-2-6-10-22/h1,3-4,7-8,11H,2,5-6,9-10,19H2
InChIKeyIZZYVBTWMOKXID-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.57
Rot. Bonds2

About (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone

(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone (PubChem CID 169103297) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone
PubChem CID169103297
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc(-c3ccccc3)cnc12
InChIInChI=1S/C18H18N4OS/c19-14-15-17(21-13(11-20-15)12-7-3-1-4-8-12)24-16(14)18(23)22-9-5-2-6-10-22/h1,3-4,7-8,11H,2,5-6,9-10,19H2
InChIKeyIZZYVBTWMOKXID-UHFFFAOYSA-N
XLogP3.57
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone (CID 169103297) is (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone is Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccccc3)cnc12.
What is the InChIKey of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone?
The InChIKey is IZZYVBTWMOKXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c19-14-15-17(21-13(11-20-15)12-7-3-1-4-8-12)24-16(14)18(23)22-9-5-2-6-10-22/h1,3-4,7-8,11H,2,5-6,9-10,19H2.
What are the key properties of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone?
(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone has a molecular weight of 338.44 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 169103297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).