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

C19H20N4OS — CID 176733445

IUPAC(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(azepan-1-yl)methanone
SMILESNc1c(C(=O)N2CCCCCC2)sc2nc(-c3ccccc3)cnc12
InChIInChI=1S/C19H20N4OS/c20-15-16-18(22-14(12-21-16)13-8-4-3-5-9-13)25-17(15)19(24)23-10-6-1-2-7-11-23/h3-5,8-9,12H,1-2,6-7,10-11,20H2
InChIKeyIVBUIUPVJBFZBA-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.96
Rot. Bonds2

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

(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(azepan-1-yl)methanone (PubChem CID 176733445) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(azepan-1-yl)methanone.

Molecular Properties

Compound Name(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(azepan-1-yl)methanone
PubChem CID176733445
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(azepan-1-yl)methanone
SMILESNc1c(C(=O)N2CCCCCC2)sc2nc(-c3ccccc3)cnc12
InChIInChI=1S/C19H20N4OS/c20-15-16-18(22-14(12-21-16)13-8-4-3-5-9-13)25-17(15)19(24)23-10-6-1-2-7-11-23/h3-5,8-9,12H,1-2,6-7,10-11,20H2
InChIKeyIVBUIUPVJBFZBA-UHFFFAOYSA-N
XLogP3.96
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.96
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)-(azepan-1-yl)methanone?
The IUPAC name of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(azepan-1-yl)methanone (CID 176733445) is (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(azepan-1-yl)methanone.
What is the SMILES notation for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(azepan-1-yl)methanone?
The canonical SMILES for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(azepan-1-yl)methanone is Nc1c(C(=O)N2CCCCCC2)sc2nc(-c3ccccc3)cnc12.
What is the InChIKey of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(azepan-1-yl)methanone?
The InChIKey is IVBUIUPVJBFZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c20-15-16-18(22-14(12-21-16)13-8-4-3-5-9-13)25-17(15)19(24)23-10-6-1-2-7-11-23/h3-5,8-9,12H,1-2,6-7,10-11,20H2.
What are the key properties of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(azepan-1-yl)methanone?
(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(azepan-1-yl)methanone has a molecular weight of 352.46 g/mol, XLogP of 3.96, 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)-(azepan-1-yl)methanone is sourced from PubChem (CID 176733445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).