N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide

C21H19N5O3 — CID 53100654

IUPACN-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c3c(=O)n(C)cnc23)cc1
InChIInChI=1S/C21H19N5O3/c1-13-4-8-15(9-5-13)26-19-17(22-12-25(2)21(19)28)18(24-26)20(27)23-14-6-10-16(29-3)11-7-14/h4-12H,1-3H3,(H,23,27)
InChIKeyDLWMKMCBQIESSW-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.69
Rot. Bonds4

About N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide

N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide (PubChem CID 53100654) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
PubChem CID53100654
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c3c(=O)n(C)cnc23)cc1
InChIInChI=1S/C21H19N5O3/c1-13-4-8-15(9-5-13)26-19-17(22-12-25(2)21(19)28)18(24-26)20(27)23-14-6-10-16(29-3)11-7-14/h4-12H,1-3H3,(H,23,27)
InChIKeyDLWMKMCBQIESSW-UHFFFAOYSA-N
XLogP2.69
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100647
N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53043099
N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323807
1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100457
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide
CID 12018678
N-(4-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555849
N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110860027
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20972759
N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 1026844
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745504
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide (CID 53100654) is N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide is COc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c3c(=O)n(C)cnc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide?
The InChIKey is DLWMKMCBQIESSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13-4-8-15(9-5-13)26-19-17(22-12-25(2)21(19)28)18(24-26)20(27)23-14-6-10-16(29-3)11-7-14/h4-12H,1-3H3,(H,23,27).
What are the key properties of N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide?
N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 53100654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).