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

C22H21N5O2 — CID 665558

IUPACfuran-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C22H21N5O2/c1-16-14-20(25-9-11-26(12-10-25)22(28)19-8-5-13-29-19)27-21(24-16)18(15-23-27)17-6-3-2-4-7-17/h2-8,13-15H,9-12H2,1H3
InChIKeyLEVKDFVAYKKCJS-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.26
Rot. Bonds3

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

furan-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 665558) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is furan-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID665558
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Namefuran-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C22H21N5O2/c1-16-14-20(25-9-11-26(12-10-25)22(28)19-8-5-13-29-19)27-21(24-16)18(15-23-27)17-6-3-2-4-7-17/h2-8,13-15H,9-12H2,1H3
InChIKeyLEVKDFVAYKKCJS-UHFFFAOYSA-N
XLogP3.26
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.26
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-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 665558) is furan-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of furan-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is LEVKDFVAYKKCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-16-14-20(25-9-11-26(12-10-25)22(28)19-8-5-13-29-19)27-21(24-16)18(15-23-27)17-6-3-2-4-7-17/h2-8,13-15H,9-12H2,1H3.
What are the key properties of furan-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 387.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 665558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).