2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide

C24H24N4O3 — CID 92555757

IUPAC2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide
SMILESCOc1ccccc1CC(=O)N[C@H](Cc1cc(=O)n2[nH]c(C)cc2n1)c1ccccc1
InChIInChI=1S/C24H24N4O3/c1-16-12-22-25-19(15-24(30)28(22)27-16)14-20(17-8-4-3-5-9-17)26-23(29)13-18-10-6-7-11-21(18)31-2/h3-12,15,20,27H,13-14H2,1-2H3,(H,26,29)/t20-/m1/s1
InChIKeyGPAXTFHCTLXSAV-HXUWFJFHSA-N
MW416.48 g/mol
LogP2.98
Rot. Bonds7

About 2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide

2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide (PubChem CID 92555757) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide
PubChem CID92555757
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide
SMILESCOc1ccccc1CC(=O)N[C@H](Cc1cc(=O)n2[nH]c(C)cc2n1)c1ccccc1
InChIInChI=1S/C24H24N4O3/c1-16-12-22-25-19(15-24(30)28(22)27-16)14-20(17-8-4-3-5-9-17)26-23(29)13-18-10-6-7-11-21(18)31-2/h3-12,15,20,27H,13-14H2,1-2H3,(H,26,29)/t20-/m1/s1
InChIKeyGPAXTFHCTLXSAV-HXUWFJFHSA-N
XLogP2.98
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide
CID 92555750
N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 92555758
2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
CID 136816310
2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide
CID 92578696
2-(4-methoxy-3-methylphenyl)-N-(1-phenylpropyl)acetamide
CID 133210916
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 92555783
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 71919972
N-[(3-chlorophenyl)-phenylmethyl]-2-(2-methoxyphenyl)acetamide
CID 55804403
5-[(2,3-difluorophenoxy)methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66856689
5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 81085334
2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136891448

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide (CID 92555757) is 2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide is COc1ccccc1CC(=O)N[C@H](Cc1cc(=O)n2[nH]c(C)cc2n1)c1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide?
The InChIKey is GPAXTFHCTLXSAV-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-12-22-25-19(15-24(30)28(22)27-16)14-20(17-8-4-3-5-9-17)26-23(29)13-18-10-6-7-11-21(18)31-2/h3-12,15,20,27H,13-14H2,1-2H3,(H,26,29)/t20-/m1/s1.
What are the key properties of 2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide?
2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(1R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide is sourced from PubChem (CID 92555757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).