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

C27H23N5O2 — CID 44602406

IUPAC[4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C27H23N5O2/c33-27(22-11-16-34-19-22)31-14-12-30(13-15-31)26-18-23(20-7-3-1-4-8-20)28-25-17-24(29-32(25)26)21-9-5-2-6-10-21/h1-11,16-19H,12-15H2
InChIKeyLXXDDDFWVCVQAU-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.62
Rot. Bonds4

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

[4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 44602406) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is [4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID44602406
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC Name[4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C27H23N5O2/c33-27(22-11-16-34-19-22)31-14-12-30(13-15-31)26-18-23(20-7-3-1-4-8-20)28-25-17-24(29-32(25)26)21-9-5-2-6-10-21/h1-11,16-19H,12-15H2
InChIKeyLXXDDDFWVCVQAU-UHFFFAOYSA-N
XLogP4.62
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone (CID 44602406) is [4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccccc4)nn23)CC1.
What is the InChIKey of [4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is LXXDDDFWVCVQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c33-27(22-11-16-34-19-22)31-14-12-30(13-15-31)26-18-23(20-7-3-1-4-8-20)28-25-17-24(29-32(25)26)21-9-5-2-6-10-21/h1-11,16-19H,12-15H2.
What are the key properties of [4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone?
[4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 449.51 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 44602406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).