3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide

C21H20N6O2 — CID 16882272

IUPAC3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)CCn1c(C)nc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C21H20N6O2/c1-14-7-6-11-22-19(14)25-18(28)10-12-26-15(2)24-20-17(21(26)29)13-23-27(20)16-8-4-3-5-9-16/h3-9,11,13H,10,12H2,1-2H3,(H,22,25,28)
InChIKeyXAEIMRMCXKYABJ-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.62
Rot. Bonds5

About 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide

3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide (PubChem CID 16882272) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide
PubChem CID16882272
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)CCn1c(C)nc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C21H20N6O2/c1-14-7-6-11-22-19(14)25-18(28)10-12-26-15(2)24-20-17(21(26)29)13-23-27(20)16-8-4-3-5-9-16/h3-9,11,13H,10,12H2,1-2H3,(H,22,25,28)
InChIKeyXAEIMRMCXKYABJ-UHFFFAOYSA-N
XLogP2.62
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-pyridin-2-ylpropanamide
CID 16883046
3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide
CID 16882977
N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883026
N-(5-chloro-2-methylphenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882256
N-cyclopentyl-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882159
N-cyclohexyl-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882160
N-(3,3-diphenylpropyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882187
3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 16882221
N-(2-methylcyclohexyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882166
N-(2,5-dimethoxyphenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882251
N-benzyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882556
N-(3-acetamidophenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883077

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide (CID 16882272) is 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide is Cc1cccnc1NC(=O)CCn1c(C)nc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide?
The InChIKey is XAEIMRMCXKYABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14-7-6-11-22-19(14)25-18(28)10-12-26-15(2)24-20-17(21(26)29)13-23-27(20)16-8-4-3-5-9-16/h3-9,11,13H,10,12H2,1-2H3,(H,22,25,28).
What are the key properties of 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide?
3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide has a molecular weight of 388.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 16882272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).