1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

C20H20N6O2S — CID 71812594

IUPAC1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnsc5)cc34)cn2)CC1
InChIInChI=1S/C20H20N6O2S/c1-12(27)25-4-2-15(3-5-25)26-10-13(7-23-26)17-9-22-20(21)19-16(17)6-18(28-19)14-8-24-29-11-14/h6-11,15H,2-5H2,1H3,(H2,21,22)
InChIKeyQPZICBYPSUODET-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.58
Rot. Bonds3

About 1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 71812594) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID71812594
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnsc5)cc34)cn2)CC1
InChIInChI=1S/C20H20N6O2S/c1-12(27)25-4-2-15(3-5-25)26-10-13(7-23-26)17-9-22-20(21)19-16(17)6-18(28-19)14-8-24-29-11-14/h6-11,15H,2-5H2,1H3,(H2,21,22)
InChIKeyQPZICBYPSUODET-UHFFFAOYSA-N
XLogP3.58
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 71812594) is 1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnsc5)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is QPZICBYPSUODET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-12(27)25-4-2-15(3-5-25)26-10-13(7-23-26)17-9-22-20(21)19-16(17)6-18(28-19)14-8-24-29-11-14/h6-11,15H,2-5H2,1H3,(H2,21,22).
What are the key properties of 1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 408.49 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-amino-2-(1,2-thiazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71812594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).