2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide

C25H27N7O — CID 16618444

IUPAC2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccccc1)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C25H27N7O/c1-18(25(33)29-22-11-7-6-10-20(22)19-8-4-3-5-9-19)31-12-14-32(15-13-31)24-21-16-28-30(2)23(21)26-17-27-24/h3-11,16-18H,12-15H2,1-2H3,(H,29,33)
InChIKeyRYICWWLKCUBSLY-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.18
Rot. Bonds5

About 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide

2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide (PubChem CID 16618444) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
PubChem CID16618444
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccccc1)N1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C25H27N7O/c1-18(25(33)29-22-11-7-6-10-20(22)19-8-4-3-5-9-19)31-12-14-32(15-13-31)24-21-16-28-30(2)23(21)26-17-27-24/h3-11,16-18H,12-15H2,1-2H3,(H,29,33)
InChIKeyRYICWWLKCUBSLY-UHFFFAOYSA-N
XLogP3.18
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(2,4-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 26249351
N-(4-acetylphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 16608602
N-(benzylcarbamoyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 16618539
N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
CID 16618393
2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 18078428
(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
CID 1429478
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 112808893
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
CID 24624070
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 16618370
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-phenylpropanamide
CID 43065535

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide (CID 16618444) is 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide is CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCN(c2ncnc3c2cnn3C)CC1.
What is the InChIKey of 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide?
The InChIKey is RYICWWLKCUBSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-18(25(33)29-22-11-7-6-10-20(22)19-8-4-3-5-9-19)31-12-14-32(15-13-31)24-21-16-28-30(2)23(21)26-17-27-24/h3-11,16-18H,12-15H2,1-2H3,(H,29,33).
What are the key properties of 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide?
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide has a molecular weight of 441.54 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 16618444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).