3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide

C20H17N5O2 — CID 135677117

IUPAC3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide
SMILESO=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C20H17N5O2/c26-18(22-14-7-3-1-4-8-14)12-11-17-23-19-16(20(27)24-17)13-21-25(19)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,22,26)(H,23,24,27)
InChIKeyLVALTLSIUIHVKF-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.68
Rot. Bonds5

About 3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide

3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide (PubChem CID 135677117) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide
PubChem CID135677117
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide
SMILESO=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C20H17N5O2/c26-18(22-14-7-3-1-4-8-14)12-11-17-23-19-16(20(27)24-17)13-21-25(19)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,22,26)(H,23,24,27)
InChIKeyLVALTLSIUIHVKF-UHFFFAOYSA-N
XLogP2.68
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135616528
3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 135979038
N-[2-(dimethylamino)-2-oxoethyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135733150
N-[[1-(dimethylamino)cyclopropyl]methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 167987283
3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 135881413
3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 135623473
N-[3-(dimethylamino)propyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 154799502
3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(2S)-2-phenylbutyl]propanamide
CID 135733152
N-[1-[1-(hydroxymethyl)cyclopropyl]ethyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 167798230
3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 136752394
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135926182
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135623477

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide?
The IUPAC name of 3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide (CID 135677117) is 3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide is O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1.
What is the InChIKey of 3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide?
The InChIKey is LVALTLSIUIHVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-18(22-14-7-3-1-4-8-14)12-11-17-23-19-16(20(27)24-17)13-21-25(19)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,22,26)(H,23,24,27).
What are the key properties of 3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide?
3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide has a molecular weight of 359.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide is sourced from PubChem (CID 135677117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).