3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide

C21H26N6O2 — CID 46976685

IUPAC3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
SMILESCn1ncc2c(=O)n(CCC(=O)NCc3cccc(N4CCCCC4)c3)cnc21
InChIInChI=1S/C21H26N6O2/c1-25-20-18(14-24-25)21(29)27(15-23-20)11-8-19(28)22-13-16-6-5-7-17(12-16)26-9-3-2-4-10-26/h5-7,12,14-15H,2-4,8-11,13H2,1H3,(H,22,28)
InChIKeyZSYBPLZOFLYEMP-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.83
Rot. Bonds6

About 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide

3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide (PubChem CID 46976685) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
PubChem CID46976685
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
SMILESCn1ncc2c(=O)n(CCC(=O)NCc3cccc(N4CCCCC4)c3)cnc21
InChIInChI=1S/C21H26N6O2/c1-25-20-18(14-24-25)21(29)27(15-23-20)11-8-19(28)22-13-16-6-5-7-17(12-16)26-9-3-2-4-10-26/h5-7,12,14-15H,2-4,8-11,13H2,1H3,(H,22,28)
InChIKeyZSYBPLZOFLYEMP-UHFFFAOYSA-N
XLogP1.83
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46977564
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 46410572
N-[2-(azepan-1-yl)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38166568
N-(3-acetamidophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590618
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-phenylpropanamide
CID 17492925
N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590379
3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 36758177
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559456
N-[(4-chlorophenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 25399300
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 92614239
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide
CID 18134744
3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide (CID 46976685) is 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide is Cn1ncc2c(=O)n(CCC(=O)NCc3cccc(N4CCCCC4)c3)cnc21.
What is the InChIKey of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide?
The InChIKey is ZSYBPLZOFLYEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-25-20-18(14-24-25)21(29)27(15-23-20)11-8-19(28)22-13-16-6-5-7-17(12-16)26-9-3-2-4-10-26/h5-7,12,14-15H,2-4,8-11,13H2,1H3,(H,22,28).
What are the key properties of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide?
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide has a molecular weight of 394.48 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 46976685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).