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

C23H23N5O2 — CID 665958

IUPAC[4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C23H23N5O2/c1-16-15-20(26-10-12-27(13-11-26)23(29)19-9-6-14-30-19)28-22(24-16)21(17(2)25-28)18-7-4-3-5-8-18/h3-9,14-15H,10-13H2,1-2H3
InChIKeyBJVVHVXNLXVRFS-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.57
Rot. Bonds3

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

[4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 665958) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID665958
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name[4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C23H23N5O2/c1-16-15-20(26-10-12-27(13-11-26)23(29)19-9-6-14-30-19)28-22(24-16)21(17(2)25-28)18-7-4-3-5-8-18/h3-9,14-15H,10-13H2,1-2H3
InChIKeyBJVVHVXNLXVRFS-UHFFFAOYSA-N
XLogP3.57
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 665958) is [4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone is Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of [4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is BJVVHVXNLXVRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-15-20(26-10-12-27(13-11-26)23(29)19-9-6-14-30-19)28-22(24-16)21(17(2)25-28)18-7-4-3-5-8-18/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of [4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 401.47 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 665958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).