N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C23H18N6O2S — CID 24617001

IUPACN-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)cs1
InChIInChI=1S/C23H18N6O2S/c1-16(30)28(18-8-4-2-5-9-18)23-26-17(14-32-23)13-27-15-24-21-20(22(27)31)12-25-29(21)19-10-6-3-7-11-19/h2-12,14-15H,13H2,1H3
InChIKeyJAKPXABYXLANTG-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.77
Rot. Bonds5

About N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 24617001) has the molecular formula C23H18N6O2S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID24617001
Molecular FormulaC23H18N6O2S
Molecular Weight442.50 g/mol
Exact Mass442.12
IUPAC NameN-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)cs1
InChIInChI=1S/C23H18N6O2S/c1-16(30)28(18-8-4-2-5-9-18)23-26-17(14-32-23)13-27-15-24-21-20(22(27)31)12-25-29(21)19-10-6-3-7-11-19/h2-12,14-15H,13H2,1H3
InChIKeyJAKPXABYXLANTG-UHFFFAOYSA-N
XLogP3.77
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16611468
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide
CID 7679888
N-(3-chlorophenyl)-N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38858279
N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16612149
5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679714
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide
CID 7679866
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014
5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2047328
5-[2-(4-fluorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679716
N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882306
N-methyl-N-(4-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24565430
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 24617001) is N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)cs1.
What is the InChIKey of N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is JAKPXABYXLANTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S/c1-16(30)28(18-8-4-2-5-9-18)23-26-17(14-32-23)13-27-15-24-21-20(22(27)31)12-25-29(21)19-10-6-3-7-11-19/h2-12,14-15H,13H2,1H3.
What are the key properties of N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 442.50 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 24617001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).