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

C17H12ClN5O2S — CID 16811185

IUPACN-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C17H12ClN5O2S/c18-11-3-1-4-12(7-11)23-16-14(9-20-23)17(25)22(10-19-16)21-15(24)8-13-5-2-6-26-13/h1-7,9-10H,8H2,(H,21,24)
InChIKeyZUUIEHDODOPRIR-UHFFFAOYSA-N
MW385.84 g/mol
LogP2.61
Rot. Bonds4

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

N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 16811185) has the molecular formula C17H12ClN5O2S and a molecular weight of 385.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide
PubChem CID16811185
Molecular FormulaC17H12ClN5O2S
Molecular Weight385.84 g/mol
Exact Mass385.04
IUPAC NameN-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C17H12ClN5O2S/c18-11-3-1-4-12(7-11)23-16-14(9-20-23)17(25)22(10-19-16)21-15(24)8-13-5-2-6-26-13/h1-7,9-10H,8H2,(H,21,24)
InChIKeyZUUIEHDODOPRIR-UHFFFAOYSA-N
XLogP2.61
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(4-phenylphenyl)acetamide
CID 16811184
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-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylprop-2-enamide
CID 71962451
N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide
CID 16804279
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
2-[6-(3-chlorophenyl)-2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 16859815
1-(3-chlorophenyl)-5-[2-(4-chlorophenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243770
2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)acetamide
CID 7243703
N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 18586689

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide (CID 16811185) is N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)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-thiophen-2-ylacetamide?
The InChIKey is ZUUIEHDODOPRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2S/c18-11-3-1-4-12(7-11)23-16-14(9-20-23)17(25)22(10-19-16)21-15(24)8-13-5-2-6-26-13/h1-7,9-10H,8H2,(H,21,24).
What are the key properties of N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide?
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 385.84 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-thiophen-2-ylacetamide is sourced from PubChem (CID 16811185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).