1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one

C15H21N5O — CID 134799869

IUPAC1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one
SMILESCCCC(=O)N1CCCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C15H21N5O/c1-2-4-15(21)19-10-3-9-18(11-12-19)14-6-7-16-13-5-8-17-20(13)14/h5-8H,2-4,9-12H2,1H3
InChIKeyFLDJCSVVGIXBBI-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.57
Rot. Bonds3

About 1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one

1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one (PubChem CID 134799869) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one
PubChem CID134799869
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one
SMILESCCCC(=O)N1CCCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C15H21N5O/c1-2-4-15(21)19-10-3-9-18(11-12-19)14-6-7-16-13-5-8-17-20(13)14/h5-8H,2-4,9-12H2,1H3
InChIKeyFLDJCSVVGIXBBI-UHFFFAOYSA-N
XLogP1.57
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one?
The IUPAC name of 1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one (CID 134799869) is 1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one?
The canonical SMILES for 1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one is CCCC(=O)N1CCCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of 1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one?
The InChIKey is FLDJCSVVGIXBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-4-15(21)19-10-3-9-18(11-12-19)14-6-7-16-13-5-8-17-20(13)14/h5-8H,2-4,9-12H2,1H3.
What are the key properties of 1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one?
1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one has a molecular weight of 287.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)butan-1-one is sourced from PubChem (CID 134799869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).