5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole

C20H20FN7O — CID 18151880

IUPAC5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCn1ncc2c(N3CCN(Cc4ncc(-c5ccc(F)cc5)o4)CC3)ncnc21
InChIInChI=1S/C20H20FN7O/c1-26-19-16(10-25-26)20(24-13-23-19)28-8-6-27(7-9-28)12-18-22-11-17(29-18)14-2-4-15(21)5-3-14/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyYEBXMIZQJRZUKT-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.48
Rot. Bonds4

About 5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole

5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 18151880) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID18151880
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCn1ncc2c(N3CCN(Cc4ncc(-c5ccc(F)cc5)o4)CC3)ncnc21
InChIInChI=1S/C20H20FN7O/c1-26-19-16(10-25-26)20(24-13-23-19)28-8-6-27(7-9-28)12-18-22-11-17(29-18)14-2-4-15(21)5-3-14/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyYEBXMIZQJRZUKT-UHFFFAOYSA-N
XLogP2.48
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole (CID 18151880) is 5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole is Cn1ncc2c(N3CCN(Cc4ncc(-c5ccc(F)cc5)o4)CC3)ncnc21.
What is the InChIKey of 5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is YEBXMIZQJRZUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-26-19-16(10-25-26)20(24-13-23-19)28-8-6-27(7-9-28)12-18-22-11-17(29-18)14-2-4-15(21)5-3-14/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 393.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 18151880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).