[4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C28H23N5O3 — CID 1258833

IUPAC[4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C28H23N5O3/c34-27(31-13-15-32(16-14-31)28(35)25-12-7-17-36-25)23-19-26-29-22(20-8-3-1-4-9-20)18-24(33(26)30-23)21-10-5-2-6-11-21/h1-12,17-19H,13-16H2
InChIKeyZOVYCKLIBFQJHS-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.25
Rot. Bonds4

About [4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 1258833) has the molecular formula C28H23N5O3 and a molecular weight of 477.52 g/mol. Its IUPAC name is [4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID1258833
Molecular FormulaC28H23N5O3
Molecular Weight477.52 g/mol
Exact Mass477.18
IUPAC Name[4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C28H23N5O3/c34-27(31-13-15-32(16-14-31)28(35)25-12-7-17-36-25)23-19-26-29-22(20-8-3-1-4-9-20)18-24(33(26)30-23)21-10-5-2-6-11-21/h1-12,17-19H,13-16H2
InChIKeyZOVYCKLIBFQJHS-UHFFFAOYSA-N
XLogP4.25
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 1258833) is [4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ZOVYCKLIBFQJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O3/c34-27(31-13-15-32(16-14-31)28(35)25-12-7-17-36-25)23-19-26-29-22(20-8-3-1-4-9-20)18-24(33(26)30-23)21-10-5-2-6-11-21/h1-12,17-19H,13-16H2.
What are the key properties of [4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 477.52 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 1258833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).