N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide

C26H25N7O2 — CID 136630533

IUPACN-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCc1ccc(-n2ncc3c(=O)[nH]c(-n4nc(C)cc4NC(=O)CCCc4ccccc4)nc32)cc1
InChIInChI=1S/C26H25N7O2/c1-17-11-13-20(14-12-17)32-24-21(16-27-32)25(35)30-26(29-24)33-22(15-18(2)31-33)28-23(34)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-16H,6,9-10H2,1-2H3,(H,28,34)(H,29,30,35)
InChIKeyWQBLSSIXGJVZAK-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.87
Rot. Bonds7

About N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 136630533) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID136630533
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC NameN-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCc1ccc(-n2ncc3c(=O)[nH]c(-n4nc(C)cc4NC(=O)CCCc4ccccc4)nc32)cc1
InChIInChI=1S/C26H25N7O2/c1-17-11-13-20(14-12-17)32-24-21(16-27-32)25(35)30-26(29-24)33-22(15-18(2)31-33)28-23(34)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-16H,6,9-10H2,1-2H3,(H,28,34)(H,29,30,35)
InChIKeyWQBLSSIXGJVZAK-UHFFFAOYSA-N
XLogP3.87
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 136603936
N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 135885859
N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]butanamide
CID 136604093
N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]-2-phenoxyacetamide
CID 135880839
2-cyclohexyl-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]acetamide
CID 136630526
2-(4-ethoxyphenyl)-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 136603930
N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]naphthalene-1-carboxamide
CID 136603925
ethyl 4-[[2-[1-(4-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]amino]-4-oxobutanoate
CID 136604319
N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 135880890
N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-3,3-dimethylbutanamide
CID 136604098
N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 135880920
5-bromo-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]furan-2-carboxamide
CID 135880861

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 136630533) is N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide is Cc1ccc(-n2ncc3c(=O)[nH]c(-n4nc(C)cc4NC(=O)CCCc4ccccc4)nc32)cc1.
What is the InChIKey of N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is WQBLSSIXGJVZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-17-11-13-20(14-12-17)32-24-21(16-27-32)25(35)30-26(29-24)33-22(15-18(2)31-33)28-23(34)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-16H,6,9-10H2,1-2H3,(H,28,34)(H,29,30,35).
What are the key properties of N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 467.53 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 136630533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).