[5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid

C18H21BrN8O4 — CID 135356470

IUPAC[5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid
SMILESCC(=O)N1CCN(c2cc(N(Cc3nc(C)no3)C(=O)O)n3nc(C)c(Br)c3n2)CC1
InChIInChI=1S/C18H21BrN8O4/c1-10-16(19)17-21-13(25-6-4-24(5-7-25)12(3)28)8-15(27(17)22-10)26(18(29)30)9-14-20-11(2)23-31-14/h8H,4-7,9H2,1-3H3,(H,29,30)
InChIKeyMEICYOWCUJJTEY-UHFFFAOYSA-N
MW493.32 g/mol
LogP1.84
Rot. Bonds4

About [5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid

[5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid (PubChem CID 135356470) has the molecular formula C18H21BrN8O4 and a molecular weight of 493.32 g/mol. Its IUPAC name is [5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid.

Molecular Properties

Compound Name[5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid
PubChem CID135356470
Molecular FormulaC18H21BrN8O4
Molecular Weight493.32 g/mol
Exact Mass492.09
IUPAC Name[5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid
SMILESCC(=O)N1CCN(c2cc(N(Cc3nc(C)no3)C(=O)O)n3nc(C)c(Br)c3n2)CC1
InChIInChI=1S/C18H21BrN8O4/c1-10-16(19)17-21-13(25-6-4-24(5-7-25)12(3)28)8-15(27(17)22-10)26(18(29)30)9-14-20-11(2)23-31-14/h8H,4-7,9H2,1-3H3,(H,29,30)
InChIKeyMEICYOWCUJJTEY-UHFFFAOYSA-N
XLogP1.84
TPSA133.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid with MolForge

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Related Compounds

tert-butyl N-[5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-methyl-4-pyridinyl)methyl]carbamate
CID 140927968
[5-(4-acetylpiperazin-1-yl)-3-[4-chloro-3-(methylcarbamoyl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(2-methyl-4-pyridinyl)methyl]carbamic acid
CID 135356534
[5-(4-acetylpiperazin-1-yl)-3-(4-methoxy-3-methylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methylsulfonylphenyl)methyl]carbamic acid
CID 135356732
tert-butyl N-[5-(4-acetylpiperazin-1-yl)-3-(1,3-dimethylindazol-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-methyl-4-pyridinyl)methyl]carbamate
CID 140927969
1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871236
6-(4-acetylpiperazin-1-yl)-N-benzyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109367712
4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 60503705
1-(4-acetyl-1,4-diazepan-1-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 71895509
1-[4-[6-(azepane-1-carbonyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109367746
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 79020981
1-[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80767201
1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914871

Frequently Asked Questions

What is the IUPAC name of [5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid?
The IUPAC name of [5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid (CID 135356470) is [5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid.
What is the SMILES notation for [5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid?
The canonical SMILES for [5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid is CC(=O)N1CCN(c2cc(N(Cc3nc(C)no3)C(=O)O)n3nc(C)c(Br)c3n2)CC1.
What is the InChIKey of [5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid?
The InChIKey is MEICYOWCUJJTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN8O4/c1-10-16(19)17-21-13(25-6-4-24(5-7-25)12(3)28)8-15(27(17)22-10)26(18(29)30)9-14-20-11(2)23-31-14/h8H,4-7,9H2,1-3H3,(H,29,30).
What are the key properties of [5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid?
[5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid has a molecular weight of 493.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-acetylpiperazin-1-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamic acid is sourced from PubChem (CID 135356470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).