6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H24BrN5O2 — CID 55982322

IUPAC6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C22H24BrN5O2/c1-13-17(14(2)28-21(26-13)18(12-25-28)20(24)30)7-8-19(29)27-22(9-4-10-22)15-5-3-6-16(23)11-15/h3,5-6,11-12H,4,7-10H2,1-2H3,(H2,24,30)(H,27,29)
InChIKeyKAJUDOPSFGAFIU-UHFFFAOYSA-N
MW470.37 g/mol
LogP3.34
Rot. Bonds6

About 6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55982322) has the molecular formula C22H24BrN5O2 and a molecular weight of 470.37 g/mol. Its IUPAC name is 6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55982322
Molecular FormulaC22H24BrN5O2
Molecular Weight470.37 g/mol
Exact Mass469.11
IUPAC Name6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C22H24BrN5O2/c1-13-17(14(2)28-21(26-13)18(12-25-28)20(24)30)7-8-19(29)27-22(9-4-10-22)15-5-3-6-16(23)11-15/h3,5-6,11-12H,4,7-10H2,1-2H3,(H2,24,30)(H,27,29)
InChIKeyKAJUDOPSFGAFIU-UHFFFAOYSA-N
XLogP3.34
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55982322) is 6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of 6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KAJUDOPSFGAFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN5O2/c1-13-17(14(2)28-21(26-13)18(12-25-28)20(24)30)7-8-19(29)27-22(9-4-10-22)15-5-3-6-16(23)11-15/h3,5-6,11-12H,4,7-10H2,1-2H3,(H2,24,30)(H,27,29).
What are the key properties of 6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 470.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55982322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).