5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione

C25H34N6O3 — CID 147288052

IUPAC5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
SMILESCCCC(=O)N1CCN(c2ccc(CC(=O)CCC(=O)N3CCCn4nc(C)cc43)nc2)CC1
InChIInChI=1S/C25H34N6O3/c1-3-5-24(33)29-14-12-28(13-15-29)21-7-6-20(26-18-21)17-22(32)8-9-25(34)30-10-4-11-31-23(30)16-19(2)27-31/h6-7,16,18H,3-5,8-15,17H2,1-2H3
InChIKeyCTPZTFDAXAMSDC-UHFFFAOYSA-N
MW466.59 g/mol
LogP2.36
Rot. Bonds8

About 5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione

5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione (PubChem CID 147288052) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is 5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione.

Molecular Properties

Compound Name5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
PubChem CID147288052
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Name5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
SMILESCCCC(=O)N1CCN(c2ccc(CC(=O)CCC(=O)N3CCCn4nc(C)cc43)nc2)CC1
InChIInChI=1S/C25H34N6O3/c1-3-5-24(33)29-14-12-28(13-15-29)21-7-6-20(26-18-21)17-22(32)8-9-25(34)30-10-4-11-31-23(30)16-19(2)27-31/h6-7,16,18H,3-5,8-15,17H2,1-2H3
InChIKeyCTPZTFDAXAMSDC-UHFFFAOYSA-N
XLogP2.36
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione with MolForge

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Related Compounds

1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-piperidin-1-ylbutane-1,4-dione
CID 20929185
5-[4-(2-aminophenyl)phenyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
CID 152787117
ethane;methane;N-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 144869267
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone
CID 20951632
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(1-phenylpiperidin-4-yl)butanamide
CID 118165651
N-(3-methylbutyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 46282395
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 46282397
4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid
CID 118165449
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(4-pyridazin-3-ylphenyl)butanamide
CID 118165405
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20928916
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 2984231
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-chloro-4-methylbenzamide
CID 3383622

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
The IUPAC name of 5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione (CID 147288052) is 5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione.
What is the SMILES notation for 5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
The canonical SMILES for 5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione is CCCC(=O)N1CCN(c2ccc(CC(=O)CCC(=O)N3CCCn4nc(C)cc43)nc2)CC1.
What is the InChIKey of 5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
The InChIKey is CTPZTFDAXAMSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-3-5-24(33)29-14-12-28(13-15-29)21-7-6-20(26-18-21)17-22(32)8-9-25(34)30-10-4-11-31-23(30)16-19(2)27-31/h6-7,16,18H,3-5,8-15,17H2,1-2H3.
What are the key properties of 5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione?
5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione has a molecular weight of 466.59 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-butanoylpiperazin-1-yl)-2-pyridinyl]-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione is sourced from PubChem (CID 147288052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).