(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone

C18H16N4O2S — CID 176733499

IUPAC(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
SMILESNc1c(C(=O)N2CC3(COC3)C2)sc2nc(-c3ccccc3)cnc12
InChIInChI=1S/C18H16N4O2S/c19-13-14-16(21-12(6-20-14)11-4-2-1-3-5-11)25-15(13)17(23)22-7-18(8-22)9-24-10-18/h1-6H,7-10,19H2
InChIKeyMDBHBIBVMFZGAX-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.41
Rot. Bonds2

About (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone

(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone (PubChem CID 176733499) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone.

Molecular Properties

Compound Name(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
PubChem CID176733499
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
SMILESNc1c(C(=O)N2CC3(COC3)C2)sc2nc(-c3ccccc3)cnc12
InChIInChI=1S/C18H16N4O2S/c19-13-14-16(21-12(6-20-14)11-4-2-1-3-5-11)25-15(13)17(23)22-7-18(8-22)9-24-10-18/h1-6H,7-10,19H2
InChIKeyMDBHBIBVMFZGAX-UHFFFAOYSA-N
XLogP2.41
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?
The IUPAC name of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone (CID 176733499) is (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone.
What is the SMILES notation for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?
The canonical SMILES for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone is Nc1c(C(=O)N2CC3(COC3)C2)sc2nc(-c3ccccc3)cnc12.
What is the InChIKey of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?
The InChIKey is MDBHBIBVMFZGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c19-13-14-16(21-12(6-20-14)11-4-2-1-3-5-11)25-15(13)17(23)22-7-18(8-22)9-24-10-18/h1-6H,7-10,19H2.
What are the key properties of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone?
(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone has a molecular weight of 352.42 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone is sourced from PubChem (CID 176733499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).