(2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C16H18N6O2 — CID 47054755

IUPAC(2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ncnc4[nH]ncc34)CC2)c(C)o1
InChIInChI=1S/C16H18N6O2/c1-10-7-12(11(2)24-10)16(23)22-5-3-21(4-6-22)15-13-8-19-20-14(13)17-9-18-15/h7-9H,3-6H2,1-2H3,(H,17,18,19,20)
InChIKeyVCMVSKCXZDLSRI-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.53
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 47054755) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID47054755
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ncnc4[nH]ncc34)CC2)c(C)o1
InChIInChI=1S/C16H18N6O2/c1-10-7-12(11(2)24-10)16(23)22-5-3-21(4-6-22)15-13-8-19-20-14(13)17-9-18-15/h7-9H,3-6H2,1-2H3,(H,17,18,19,20)
InChIKeyVCMVSKCXZDLSRI-UHFFFAOYSA-N
XLogP1.53
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 47054755) is (2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3ncnc4[nH]ncc34)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is VCMVSKCXZDLSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-7-12(11(2)24-10)16(23)22-5-3-21(4-6-22)15-13-8-19-20-14(13)17-9-18-15/h7-9H,3-6H2,1-2H3,(H,17,18,19,20).
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 47054755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).