N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide

C24H25N5O2 — CID 16883026

IUPACN-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
SMILESCc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4c(C)cccc4C)c(C)nc32)cc1
InChIInChI=1S/C24H25N5O2/c1-15-8-10-19(11-9-15)29-23-20(14-25-29)24(31)28(18(4)26-23)13-12-21(30)27-22-16(2)6-5-7-17(22)3/h5-11,14H,12-13H2,1-4H3,(H,27,30)
InChIKeySWAHZOQCLWPSIO-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.84
Rot. Bonds5

About N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide

N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide (PubChem CID 16883026) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
PubChem CID16883026
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
SMILESCc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4c(C)cccc4C)c(C)nc32)cc1
InChIInChI=1S/C24H25N5O2/c1-15-8-10-19(11-9-15)29-23-20(14-25-29)24(31)28(18(4)26-23)13-12-21(30)27-22-16(2)6-5-7-17(22)3/h5-11,14H,12-13H2,1-4H3,(H,27,30)
InChIKeySWAHZOQCLWPSIO-UHFFFAOYSA-N
XLogP3.84
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide
CID 16882977
N-(3-acetamidophenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883077
3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-pyridin-2-ylpropanamide
CID 16883046
3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 16882272
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide
CID 16882588
N-(2,5-dimethylphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882634
N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883033
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 16882668
N-(5-chloro-2-methylphenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882256
N-(3,4-dimethylphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882635
N-(2,5-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882629
N-[(2,6-difluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882676

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide (CID 16883026) is N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide is Cc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4c(C)cccc4C)c(C)nc32)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?
The InChIKey is SWAHZOQCLWPSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-8-10-19(11-9-15)29-23-20(14-25-29)24(31)28(18(4)26-23)13-12-21(30)27-22-16(2)6-5-7-17(22)3/h5-11,14H,12-13H2,1-4H3,(H,27,30).
What are the key properties of N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?
N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide has a molecular weight of 415.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide is sourced from PubChem (CID 16883026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).