1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone

C18H18N4O3S — CID 23400878

IUPAC1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1sc2nccc(N3CCN(C(=O)c4ccco4)CC3)c2c1N
InChIInChI=1S/C18H18N4O3S/c1-11(23)16-15(19)14-12(4-5-20-17(14)26-16)21-6-8-22(9-7-21)18(24)13-3-2-10-25-13/h2-5,10H,6-9,19H2,1H3
InChIKeyAPGLAZSXAVUJTM-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.64
Rot. Bonds3

About 1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone

1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone (PubChem CID 23400878) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone
PubChem CID23400878
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1sc2nccc(N3CCN(C(=O)c4ccco4)CC3)c2c1N
InChIInChI=1S/C18H18N4O3S/c1-11(23)16-15(19)14-12(4-5-20-17(14)26-16)21-6-8-22(9-7-21)18(24)13-3-2-10-25-13/h2-5,10H,6-9,19H2,1H3
InChIKeyAPGLAZSXAVUJTM-UHFFFAOYSA-N
XLogP2.64
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone (CID 23400878) is 1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone is CC(=O)c1sc2nccc(N3CCN(C(=O)c4ccco4)CC3)c2c1N.
What is the InChIKey of 1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone?
The InChIKey is APGLAZSXAVUJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-11(23)16-15(19)14-12(4-5-20-17(14)26-16)21-6-8-22(9-7-21)18(24)13-3-2-10-25-13/h2-5,10H,6-9,19H2,1H3.
What are the key properties of 1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone?
1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone has a molecular weight of 370.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-[4-(furan-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 23400878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).