N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide

C21H18ClN5O3 — CID 1433658

IUPACN-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCOc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(Cl)c4C)cnc32)cc1
InChIInChI=1S/C21H18ClN5O3/c1-13-17(22)4-3-5-18(13)25-19(28)11-26-12-23-20-16(21(26)29)10-24-27(20)14-6-8-15(30-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,25,28)
InChIKeyKAVALKHLIAFAMP-UHFFFAOYSA-N
MW423.86 g/mol
LogP3.19
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide (PubChem CID 1433658) has the molecular formula C21H18ClN5O3 and a molecular weight of 423.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
PubChem CID1433658
Molecular FormulaC21H18ClN5O3
Molecular Weight423.86 g/mol
Exact Mass423.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCOc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(Cl)c4C)cnc32)cc1
InChIInChI=1S/C21H18ClN5O3/c1-13-17(22)4-3-5-18(13)25-19(28)11-26-12-23-20-16(21(26)29)10-24-27(20)14-6-8-15(30-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,25,28)
InChIKeyKAVALKHLIAFAMP-UHFFFAOYSA-N
XLogP3.19
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433650
N-(3-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882839
N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433592
N-tert-butyl-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433697
N-benzyl-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433640
2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 1433748
N-(2,5-dimethoxyphenyl)-2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 18572447
2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)acetamide
CID 7243703
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 30692847
N-(2,3-dimethylphenyl)-2-[3-(4-methoxyphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869729
1-(4-methoxyphenyl)-5-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 155976989
N-(5-chloro-2-methoxyphenyl)-2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 30693333

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide (CID 1433658) is N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide is COc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(Cl)c4C)cnc32)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The InChIKey is KAVALKHLIAFAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O3/c1-13-17(22)4-3-5-18(13)25-19(28)11-26-12-23-20-16(21(26)29)10-24-27(20)14-6-8-15(30-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,25,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide has a molecular weight of 423.86 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 1433658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).