N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide

C25H18ClN5O2 — CID 16811184

IUPACN-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C25H18ClN5O2/c26-20-7-4-8-21(14-20)31-24-22(15-28-31)25(33)30(16-27-24)29-23(32)13-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h1-12,14-16H,13H2,(H,29,32)
InChIKeyQJIMAZSVYKHHSM-UHFFFAOYSA-N
MW455.91 g/mol
LogP4.22
Rot. Bonds5

About N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide

N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide (PubChem CID 16811184) has the molecular formula C25H18ClN5O2 and a molecular weight of 455.91 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide
PubChem CID16811184
Molecular FormulaC25H18ClN5O2
Molecular Weight455.91 g/mol
Exact Mass455.11
IUPAC NameN-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C25H18ClN5O2/c26-20-7-4-8-21(14-20)31-24-22(15-28-31)25(33)30(16-27-24)29-23(32)13-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h1-12,14-16H,13H2,(H,29,32)
InChIKeyQJIMAZSVYKHHSM-UHFFFAOYSA-N
XLogP4.22
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.91
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 16811181
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide
CID 16811185
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylprop-2-enamide
CID 71962451
2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811162
(2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide
CID 41427577
N-(4-oxoquinazolin-3-yl)-2-(4-phenylphenyl)acetamide
CID 26181771
N-[(2-chlorophenyl)methyl]-2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16799484
1-(3-chlorophenyl)-5-[(3-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243768
N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 18586689
2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804100
2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 18586679
2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 16832691

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide (CID 16811184) is N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O.
What is the InChIKey of N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide?
The InChIKey is QJIMAZSVYKHHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN5O2/c26-20-7-4-8-21(14-20)31-24-22(15-28-31)25(33)30(16-27-24)29-23(32)13-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h1-12,14-16H,13H2,(H,29,32).
What are the key properties of N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide?
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide has a molecular weight of 455.91 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16811184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).