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

C18H16F3N5OS — CID 176733477

IUPAC[7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc(-c3ccnc(C(F)(F)F)c3)cnc12
InChIInChI=1S/C18H16F3N5OS/c19-18(20,21)12-8-10(4-5-23-12)11-9-24-14-13(22)15(28-16(14)25-11)17(27)26-6-2-1-3-7-26/h4-5,8-9H,1-3,6-7,22H2
InChIKeyUAHBSQYZEAWIHT-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.98
Rot. Bonds2

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

[7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone (PubChem CID 176733477) has the molecular formula C18H16F3N5OS and a molecular weight of 407.42 g/mol. Its IUPAC name is [7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
PubChem CID176733477
Molecular FormulaC18H16F3N5OS
Molecular Weight407.42 g/mol
Exact Mass407.10
IUPAC Name[7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc(-c3ccnc(C(F)(F)F)c3)cnc12
InChIInChI=1S/C18H16F3N5OS/c19-18(20,21)12-8-10(4-5-23-12)11-9-24-14-13(22)15(28-16(14)25-11)17(27)26-6-2-1-3-7-26/h4-5,8-9H,1-3,6-7,22H2
InChIKeyUAHBSQYZEAWIHT-UHFFFAOYSA-N
XLogP3.98
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone (CID 176733477) is [7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone is Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccnc(C(F)(F)F)c3)cnc12.
What is the InChIKey of [7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is UAHBSQYZEAWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5OS/c19-18(20,21)12-8-10(4-5-23-12)11-9-24-14-13(22)15(28-16(14)25-11)17(27)26-6-2-1-3-7-26/h4-5,8-9H,1-3,6-7,22H2.
What are the key properties of [7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone?
[7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 407.42 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-amino-3-[2-(trifluoromethyl)-4-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 176733477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).