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

C22H21N5O2 — CID 50819463

IUPACN-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
SMILESCc1ccc(-n2cc3c(=O)n(CC(=O)NCc4ccccc4C)cnc3n2)cc1
InChIInChI=1S/C22H21N5O2/c1-15-7-9-18(10-8-15)27-12-19-21(25-27)24-14-26(22(19)29)13-20(28)23-11-17-6-4-3-5-16(17)2/h3-10,12,14H,11,13H2,1-2H3,(H,23,28)
InChIKeyDQQUMTWOFDFTII-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.52
Rot. Bonds5

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

N-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide (PubChem CID 50819463) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
PubChem CID50819463
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
SMILESCc1ccc(-n2cc3c(=O)n(CC(=O)NCc4ccccc4C)cnc3n2)cc1
InChIInChI=1S/C22H21N5O2/c1-15-7-9-18(10-8-15)27-12-19-21(25-27)24-14-26(22(19)29)13-20(28)23-11-17-6-4-3-5-16(17)2/h3-10,12,14H,11,13H2,1-2H3,(H,23,28)
InChIKeyDQQUMTWOFDFTII-UHFFFAOYSA-N
XLogP2.52
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide 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

2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 42010194
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27022306
2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8576587
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 24551862
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55475405
N-(2-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165508
N-[(2-methoxyphenyl)methyl]-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 50800496
N-[(2-methoxyphenyl)methyl]-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498401
N-[(2-methoxyphenyl)methyl]-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 9353632
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 46484361
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide (CID 50819463) is N-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide is Cc1ccc(-n2cc3c(=O)n(CC(=O)NCc4ccccc4C)cnc3n2)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide?
The InChIKey is DQQUMTWOFDFTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-7-9-18(10-8-15)27-12-19-21(25-27)24-14-26(22(19)29)13-20(28)23-11-17-6-4-3-5-16(17)2/h3-10,12,14H,11,13H2,1-2H3,(H,23,28).
What are the key properties of N-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide?
N-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 50819463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).