3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide

C23H23N5O2 — CID 16882380

IUPAC3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide
SMILESO=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NCCCc1ccccc1
InChIInChI=1S/C23H23N5O2/c29-21(24-14-7-10-18-8-3-1-4-9-18)13-15-27-17-25-22-20(23(27)30)16-26-28(22)19-11-5-2-6-12-19/h1-6,8-9,11-12,16-17H,7,10,13-15H2,(H,24,29)
InChIKeyXFBKXOVHQVDSDN-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.72
Rot. Bonds8

About 3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide

3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide (PubChem CID 16882380) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide
PubChem CID16882380
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide
SMILESO=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NCCCc1ccccc1
InChIInChI=1S/C23H23N5O2/c29-21(24-14-7-10-18-8-3-1-4-9-18)13-15-27-17-25-22-20(23(27)30)16-26-28(22)19-11-5-2-6-12-19/h1-6,8-9,11-12,16-17H,7,10,13-15H2,(H,24,29)
InChIKeyXFBKXOVHQVDSDN-UHFFFAOYSA-N
XLogP2.72
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-phenylpropyl)propanamide
CID 16882574
N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 8521152
N-(3-ethoxypropyl)-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882741
N-(1,2-oxazol-3-yl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882476
3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide
CID 16882781
2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide
CID 1433797
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014
N-(3-fluoro-4-methylphenyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882453
N-(2,4-dichlorophenyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882430
N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882306
N-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883143
N-[2-(cyclohexen-1-yl)ethyl]-3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883136

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide (CID 16882380) is 3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide is O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NCCCc1ccccc1.
What is the InChIKey of 3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide?
The InChIKey is XFBKXOVHQVDSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-21(24-14-7-10-18-8-3-1-4-9-18)13-15-27-17-25-22-20(23(27)30)16-26-28(22)19-11-5-2-6-12-19/h1-6,8-9,11-12,16-17H,7,10,13-15H2,(H,24,29).
What are the key properties of 3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide?
3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide has a molecular weight of 401.47 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 16882380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).