3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one

C21H24BrN5O3 — CID 67034326

IUPAC3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one
SMILESCOc1ccc(CN2CC(C(C)C)N(c3ccn4ncc(Br)c4n3)C2=O)c(OC)c1
InChIInChI=1S/C21H24BrN5O3/c1-13(2)17-12-25(11-14-5-6-15(29-3)9-18(14)30-4)21(28)27(17)19-7-8-26-20(24-19)16(22)10-23-26/h5-10,13,17H,11-12H2,1-4H3
InChIKeyQJUYCFCDSNCCHU-UHFFFAOYSA-N
MW474.36 g/mol
LogP3.98
Rot. Bonds6

About 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one

3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one (PubChem CID 67034326) has the molecular formula C21H24BrN5O3 and a molecular weight of 474.36 g/mol. Its IUPAC name is 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one
PubChem CID67034326
Molecular FormulaC21H24BrN5O3
Molecular Weight474.36 g/mol
Exact Mass473.11
IUPAC Name3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one
SMILESCOc1ccc(CN2CC(C(C)C)N(c3ccn4ncc(Br)c4n3)C2=O)c(OC)c1
InChIInChI=1S/C21H24BrN5O3/c1-13(2)17-12-25(11-14-5-6-15(29-3)9-18(14)30-4)21(28)27(17)19-7-8-26-20(24-19)16(22)10-23-26/h5-10,13,17H,11-12H2,1-4H3
InChIKeyQJUYCFCDSNCCHU-UHFFFAOYSA-N
XLogP3.98
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
CID 178129815
(6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one
CID 67352581
(4S)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one
CID 67034378
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
(3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 86680344
(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 86680349
7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one
CID 171795802
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
(3aS,9bR)-5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 1100585
1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 63362626
methyl (3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylate
CID 86680346

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one (CID 67034326) is 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one is COc1ccc(CN2CC(C(C)C)N(c3ccn4ncc(Br)c4n3)C2=O)c(OC)c1.
What is the InChIKey of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one?
The InChIKey is QJUYCFCDSNCCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O3/c1-13(2)17-12-25(11-14-5-6-15(29-3)9-18(14)30-4)21(28)27(17)19-7-8-26-20(24-19)16(22)10-23-26/h5-10,13,17H,11-12H2,1-4H3.
What are the key properties of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one?
3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one has a molecular weight of 474.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-[(2,4-dimethoxyphenyl)methyl]-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 67034326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).