furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone

C23H19N5O3S — CID 46905003

IUPACfuran-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4cccs4)nn23)CC1
InChIInChI=1S/C23H19N5O3S/c29-23(16-5-11-30-15-16)27-8-6-26(7-9-27)22-14-17(19-3-1-10-31-19)24-21-13-18(25-28(21)22)20-4-2-12-32-20/h1-5,10-15H,6-9H2
InChIKeyNEEHGIHRGAWMKF-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.27
Rot. Bonds4

About furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone

furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (PubChem CID 46905003) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
PubChem CID46905003
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC Namefuran-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4cccs4)nn23)CC1
InChIInChI=1S/C23H19N5O3S/c29-23(16-5-11-30-15-16)27-8-6-26(7-9-27)22-14-17(19-3-1-10-31-19)24-21-13-18(25-28(21)22)20-4-2-12-32-20/h1-5,10-15H,6-9H2
InChIKeyNEEHGIHRGAWMKF-UHFFFAOYSA-N
XLogP4.27
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (CID 46905003) is furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is O=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4cccs4)nn23)CC1.
What is the InChIKey of furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The InChIKey is NEEHGIHRGAWMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c29-23(16-5-11-30-15-16)27-8-6-26(7-9-27)22-14-17(19-3-1-10-31-19)24-21-13-18(25-28(21)22)20-4-2-12-32-20/h1-5,10-15H,6-9H2.
What are the key properties of furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone has a molecular weight of 445.50 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[5-(furan-2-yl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 46905003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).