5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

C20H25FN6O — CID 10150545

IUPAC5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCCC(c1nc2n[nH]c(F)c2c(=O)n1Cc1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C20H25FN6O/c1-3-15(26-11-9-25(2)10-12-26)19-22-18-16(17(21)23-24-18)20(28)27(19)13-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,23,24)
InChIKeyWMJKKHUSEYCHJG-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.01
Rot. Bonds5

About 5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 10150545) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID10150545
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC Name5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCCC(c1nc2n[nH]c(F)c2c(=O)n1Cc1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C20H25FN6O/c1-3-15(26-11-9-25(2)10-12-26)19-22-18-16(17(21)23-24-18)20(28)27(19)13-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,23,24)
InChIKeyWMJKKHUSEYCHJG-UHFFFAOYSA-N
XLogP2.01
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-benzyl-6-fluoro-2-[1-(4-methylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 10237664
6-[(4-fluorophenyl)methyl]-5-[1-(4-methylpiperazin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10126738
2-[1-(4-methylpiperazin-1-yl)propyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-one
CID 10126660
2-[4-[1-(3-benzyl-4-oxothieno[2,3-d]pyrimidin-2-yl)propyl]piperazin-1-yl]acetic acid
CID 10216586
3-benzyl-2-[2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 10173102
4-[1-[1-benzyl-5-bromo-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]propyl]piperazine-1-carboxamide
CID 10029002
3-benzyl-2-[1-(1,4-diazepan-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 10172468
6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10194350
3-benzyl-2-[1-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714912
5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one
CID 10150038
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 10288263

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one (CID 10150545) is 5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one is CCC(c1nc2n[nH]c(F)c2c(=O)n1Cc1ccccc1)N1CCN(C)CC1.
What is the InChIKey of 5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is WMJKKHUSEYCHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-3-15(26-11-9-25(2)10-12-26)19-22-18-16(17(21)23-24-18)20(28)27(19)13-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,23,24).
What are the key properties of 5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one?
5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 384.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 10150545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).