3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide

C25H21N5O2 — CID 16883207

IUPAC3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide
SMILESCc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4cccc5ccccc45)cnc32)cc1
InChIInChI=1S/C25H21N5O2/c1-17-9-11-19(12-10-17)30-24-21(15-27-30)25(32)29(16-26-24)14-13-23(31)28-22-8-4-6-18-5-2-3-7-20(18)22/h2-12,15-16H,13-14H2,1H3,(H,28,31)
InChIKeyMIJQNJRSEHCHRO-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.07
Rot. Bonds5

About 3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide

3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 16883207) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide
PubChem CID16883207
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide
SMILESCc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4cccc5ccccc45)cnc32)cc1
InChIInChI=1S/C25H21N5O2/c1-17-9-11-19(12-10-17)30-24-21(15-27-30)25(32)29(16-26-24)14-13-23(31)28-22-8-4-6-18-5-2-3-7-20(18)22/h2-12,15-16H,13-14H2,1H3,(H,28,31)
InChIKeyMIJQNJRSEHCHRO-UHFFFAOYSA-N
XLogP4.07
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide
CID 16883274
3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylquinolin-4-yl)propanamide
CID 16883244
N-(3-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882839
N-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883143
1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160449
N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433592
N-(2,4-dichlorophenyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882430
3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide
CID 16882781
3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide
CID 16882977
N-(3-fluoro-4-methylphenyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882453
N-(1,2-oxazol-3-yl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882476
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 16595195

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide (CID 16883207) is 3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide is Cc1ccc(-n2ncc3c(=O)n(CCC(=O)Nc4cccc5ccccc45)cnc32)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is MIJQNJRSEHCHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-17-9-11-19(12-10-17)30-24-21(15-27-30)25(32)29(16-26-24)14-13-23(31)28-22-8-4-6-18-5-2-3-7-20(18)22/h2-12,15-16H,13-14H2,1H3,(H,28,31).
What are the key properties of 3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide?
3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 423.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 16883207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).