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

C25H21N5O3 — CID 46173049

IUPACfuran-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C25H21N5O3/c31-25(22-9-5-15-33-22)29-12-10-28(11-13-29)24-17-20(21-8-4-14-32-21)26-23-16-19(27-30(23)24)18-6-2-1-3-7-18/h1-9,14-17H,10-13H2
InChIKeyRVGHTHJVPDKWFA-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.21
Rot. Bonds4

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

furan-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (PubChem CID 46173049) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is furan-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
PubChem CID46173049
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Namefuran-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C25H21N5O3/c31-25(22-9-5-15-33-22)29-12-10-28(11-13-29)24-17-20(21-8-4-14-32-21)26-23-16-19(27-30(23)24)18-6-2-1-3-7-18/h1-9,14-17H,10-13H2
InChIKeyRVGHTHJVPDKWFA-UHFFFAOYSA-N
XLogP4.21
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (CID 46173049) is furan-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1.
What is the InChIKey of furan-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The InChIKey is RVGHTHJVPDKWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c31-25(22-9-5-15-33-22)29-12-10-28(11-13-29)24-17-20(21-8-4-14-32-21)26-23-16-19(27-30(23)24)18-6-2-1-3-7-18/h1-9,14-17H,10-13H2.
What are the key properties of furan-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone has a molecular weight of 439.48 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 46173049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).