5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C24H22N4O3 — CID 98139214

IUPAC5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1N1C[C@H](c2cc(=O)n3[nH]cc(-c4ccc(C)cc4)c3n2)CC1=O
InChIInChI=1S/C24H22N4O3/c1-15-7-9-16(10-8-15)18-13-25-28-23(30)12-19(26-24(18)28)17-11-22(29)27(14-17)20-5-3-4-6-21(20)31-2/h3-10,12-13,17,25H,11,14H2,1-2H3/t17-/m1/s1
InChIKeyYLXPZQWHWBJWRP-QGZVFWFLSA-N
MW414.47 g/mol
LogP3.53
Rot. Bonds4

About 5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98139214) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98139214
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1N1C[C@H](c2cc(=O)n3[nH]cc(-c4ccc(C)cc4)c3n2)CC1=O
InChIInChI=1S/C24H22N4O3/c1-15-7-9-16(10-8-15)18-13-25-28-23(30)12-19(26-24(18)28)17-11-22(29)27(14-17)20-5-3-4-6-21(20)31-2/h3-10,12-13,17,25H,11,14H2,1-2H3/t17-/m1/s1
InChIKeyYLXPZQWHWBJWRP-QGZVFWFLSA-N
XLogP3.53
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973774
1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697742
3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 6484562
2-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide
CID 28957330
2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide
CID 28957331
(4R)-1-(2-methoxyphenyl)-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40836155
(4-methylphenyl)methyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7543997
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200
4-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one
CID 136891660
4-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]-1H-pyrimidin-6-one
CID 136891659
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
(4S)-1-(2-methoxyphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 25301041

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98139214) is 5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccccc1N1C[C@H](c2cc(=O)n3[nH]cc(-c4ccc(C)cc4)c3n2)CC1=O.
What is the InChIKey of 5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YLXPZQWHWBJWRP-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-15-7-9-16(10-8-15)18-13-25-28-23(30)12-19(26-24(18)28)17-11-22(29)27(14-17)20-5-3-4-6-21(20)31-2/h3-10,12-13,17,25H,11,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 414.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98139214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).