(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone

C18H16F2N4OS — CID 176733489

IUPAC(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESNc1c(C(=O)N2CCC(F)(F)CC2)sc2nc(-c3ccccc3)cnc12
InChIInChI=1S/C18H16F2N4OS/c19-18(20)6-8-24(9-7-18)17(25)15-13(21)14-16(26-15)23-12(10-22-14)11-4-2-1-3-5-11/h1-5,10H,6-9,21H2
InChIKeyGTVOFDRYHLLXJW-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.81
Rot. Bonds2

About (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone

(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 176733489) has the molecular formula C18H16F2N4OS and a molecular weight of 374.42 g/mol. Its IUPAC name is (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID176733489
Molecular FormulaC18H16F2N4OS
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESNc1c(C(=O)N2CCC(F)(F)CC2)sc2nc(-c3ccccc3)cnc12
InChIInChI=1S/C18H16F2N4OS/c19-18(20)6-8-24(9-7-18)17(25)15-13(21)14-16(26-15)23-12(10-22-14)11-4-2-1-3-5-11/h1-5,10H,6-9,21H2
InChIKeyGTVOFDRYHLLXJW-UHFFFAOYSA-N
XLogP3.81
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.81
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)-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone (CID 176733489) is (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone is Nc1c(C(=O)N2CCC(F)(F)CC2)sc2nc(-c3ccccc3)cnc12.
What is the InChIKey of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is GTVOFDRYHLLXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4OS/c19-18(20)6-8-24(9-7-18)17(25)15-13(21)14-16(26-15)23-12(10-22-14)11-4-2-1-3-5-11/h1-5,10H,6-9,21H2.
What are the key properties of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone?
(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 374.42 g/mol, XLogP of 3.81, 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)-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 176733489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).