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

C28H25N5O2 — CID 44968163

IUPACfuran-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)cc1
InChIInChI=1S/C28H25N5O2/c1-20-9-11-22(12-10-20)24-18-26-29-23(21-6-3-2-4-7-21)19-27(33(26)30-24)31-13-15-32(16-14-31)28(34)25-8-5-17-35-25/h2-12,17-19H,13-16H2,1H3
InChIKeyFPYBXCFRCGZIGU-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.93
Rot. Bonds4

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

furan-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (PubChem CID 44968163) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is furan-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
PubChem CID44968163
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Namefuran-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)cc1
InChIInChI=1S/C28H25N5O2/c1-20-9-11-22(12-10-20)24-18-26-29-23(21-6-3-2-4-7-21)19-27(33(26)30-24)31-13-15-32(16-14-31)28(34)25-8-5-17-35-25/h2-12,17-19H,13-16H2,1H3
InChIKeyFPYBXCFRCGZIGU-UHFFFAOYSA-N
XLogP4.93
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (CID 44968163) is furan-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)cc1.
What is the InChIKey of furan-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The InChIKey is FPYBXCFRCGZIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-20-9-11-22(12-10-20)24-18-26-29-23(21-6-3-2-4-7-21)19-27(33(26)30-24)31-13-15-32(16-14-31)28(34)25-8-5-17-35-25/h2-12,17-19H,13-16H2,1H3.
What are the key properties of furan-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone has a molecular weight of 463.54 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 44968163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).