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

C18H30N6O — CID 10150038

IUPAC5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(c1nc2[nH]ncc2c(=O)n1CCC(C)C)N1CCN(C)CC1
InChIInChI=1S/C18H30N6O/c1-5-15(23-10-8-22(4)9-11-23)17-20-16-14(12-19-21-16)18(25)24(17)7-6-13(2)3/h12-13,15H,5-11H2,1-4H3,(H,19,21)
InChIKeyVKYNXCAUCOTPQI-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.86
Rot. Bonds6

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

5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 10150038) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is 5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID10150038
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(c1nc2[nH]ncc2c(=O)n1CCC(C)C)N1CCN(C)CC1
InChIInChI=1S/C18H30N6O/c1-5-15(23-10-8-22(4)9-11-23)17-20-16-14(12-19-21-16)18(25)24(17)7-6-13(2)3/h12-13,15H,5-11H2,1-4H3,(H,19,21)
InChIKeyVKYNXCAUCOTPQI-UHFFFAOYSA-N
XLogP1.86
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-methylpiperazin-1-yl)propyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-one
CID 10126660
3-benzyl-6-fluoro-2-[1-(4-methylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 10237664
5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 10150545
6-[(4-fluorophenyl)methyl]-5-[1-(4-methylpiperazin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10126738
2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
CID 769728
2-[4-[1-(3-benzyl-4-oxothieno[2,3-d]pyrimidin-2-yl)propyl]piperazin-1-yl]acetic acid
CID 10216586
3-ethyl-6,7-dimethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one
CID 166046837
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715229
3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
CID 42714988
1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine
CID 857085
3-ethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-6-(trifluoromethyl)quinazolin-4-one
CID 166046807

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one (CID 10150038) is 5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one is CCC(c1nc2[nH]ncc2c(=O)n1CCC(C)C)N1CCN(C)CC1.
What is the InChIKey of 5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VKYNXCAUCOTPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-5-15(23-10-8-22(4)9-11-23)17-20-16-14(12-19-21-16)18(25)24(17)7-6-13(2)3/h12-13,15H,5-11H2,1-4H3,(H,19,21).
What are the key properties of 5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one?
5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 346.48 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 10150038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).