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

C23H23N5O2 — CID 16882977

IUPAC3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4ccccc4C)c(C)nc32)cc1
InChIInChI=1S/C23H23N5O2/c1-15-8-10-18(11-9-15)28-22-19(14-24-28)23(30)27(17(3)25-22)13-12-21(29)26-20-7-5-4-6-16(20)2/h4-11,14H,12-13H2,1-3H3,(H,26,29)
InChIKeyVVBGZRHHJIAYDA-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.54
Rot. Bonds5

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

3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide (PubChem CID 16882977) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide
PubChem CID16882977
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4ccccc4C)c(C)nc32)cc1
InChIInChI=1S/C23H23N5O2/c1-15-8-10-18(11-9-15)28-22-19(14-24-28)23(30)27(17(3)25-22)13-12-21(29)26-20-7-5-4-6-16(20)2/h4-11,14H,12-13H2,1-3H3,(H,26,29)
InChIKeyVVBGZRHHJIAYDA-UHFFFAOYSA-N
XLogP3.54
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883026
3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-pyridin-2-ylpropanamide
CID 16883046
N-(2,5-dimethylphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882634
N-(5-chloro-2-methylphenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882256
N-(3-acetamidophenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883077
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-[2-(trifluoromethyl)phenyl]propanamide
CID 16882602
N-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883033
N-(2,5-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882629
N-(2,5-dimethoxyphenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882251
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide
CID 16882588
3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide
CID 16883207

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide (CID 16882977) is 3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide is Cc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4ccccc4C)c(C)nc32)cc1.
What is the InChIKey of 3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is VVBGZRHHJIAYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-8-10-18(11-9-15)28-22-19(14-24-28)23(30)27(17(3)25-22)13-12-21(29)26-20-7-5-4-6-16(20)2/h4-11,14H,12-13H2,1-3H3,(H,26,29).
What are the key properties of 3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide?
3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 401.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 16882977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).