(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide

C24H20N6O4 — CID 136701520

IUPAC(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
SMILESC[C@H](C(=O)Nc1cc(=O)[nH]c2nc(CCc3ccccc3)nn12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N6O4/c1-14(29-22(33)16-9-5-6-10-17(16)23(29)34)21(32)26-19-13-20(31)27-24-25-18(28-30(19)24)12-11-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,26,32)(H,25,27,28,31)/t14-/m1/s1
InChIKeyRHEDHATWKCTBTA-CQSZACIVSA-N
MW456.46 g/mol
LogP1.83
Rot. Bonds6

About (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide (PubChem CID 136701520) has the molecular formula C24H20N6O4 and a molecular weight of 456.46 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
PubChem CID136701520
Molecular FormulaC24H20N6O4
Molecular Weight456.46 g/mol
Exact Mass456.15
IUPAC Name(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
SMILESC[C@H](C(=O)Nc1cc(=O)[nH]c2nc(CCc3ccccc3)nn12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H20N6O4/c1-14(29-22(33)16-9-5-6-10-17(16)23(29)34)21(32)26-19-13-20(31)27-24-25-18(28-30(19)24)12-11-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,26,32)(H,25,27,28,31)/t14-/m1/s1
InChIKeyRHEDHATWKCTBTA-CQSZACIVSA-N
XLogP1.83
TPSA129.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1189020
(2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 92717081
(2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2457939
2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108763094
2-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethoxy]propanoic acid
CID 110495187
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623
4-chloro-N-[5-oxo-2-(phenoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide (CID 136701520) is (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide.
What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide is C[C@H](C(=O)Nc1cc(=O)[nH]c2nc(CCc3ccccc3)nn12)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
The InChIKey is RHEDHATWKCTBTA-CQSZACIVSA-N. The full InChI is InChI=1S/C24H20N6O4/c1-14(29-22(33)16-9-5-6-10-17(16)23(29)34)21(32)26-19-13-20(31)27-24-25-18(28-30(19)24)12-11-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,26,32)(H,25,27,28,31)/t14-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide has a molecular weight of 456.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide is sourced from PubChem (CID 136701520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).