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

C23H26BrN5O2 — CID 55975365

IUPAC6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C23H26BrN5O2/c1-14-18(15(2)29-22(28-14)19(12-27-29)21(25)31)7-8-20(30)26-13-23(9-4-10-23)16-5-3-6-17(24)11-16/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H2,25,31)(H,26,30)
InChIKeyZUAPMEKALVPKHB-UHFFFAOYSA-N
MW484.40 g/mol
LogP3.38
Rot. Bonds7

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

6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55975365) has the molecular formula C23H26BrN5O2 and a molecular weight of 484.40 g/mol. Its IUPAC name is 6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55975365
Molecular FormulaC23H26BrN5O2
Molecular Weight484.40 g/mol
Exact Mass483.13
IUPAC Name6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C23H26BrN5O2/c1-14-18(15(2)29-22(28-14)19(12-27-29)21(25)31)7-8-20(30)26-13-23(9-4-10-23)16-5-3-6-17(24)11-16/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H2,25,31)(H,26,30)
InChIKeyZUAPMEKALVPKHB-UHFFFAOYSA-N
XLogP3.38
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[[1-(3-bromophenyl)cyclobutyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55982322
6-[3-(2,4-dibromoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736270
6-[3-(benzylamino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737265
6-[3-(3-cyanoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736430
6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736922
6-[3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126770486
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 60571859
6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55852268
5,7-dimethyl-6-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736472
5,7-dimethyl-6-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56797134
N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 55975233
5,7-dimethyl-6-[3-oxo-3-[1-(3-propan-2-yloxyphenyl)ethylamino]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55849152

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55975365) is 6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of 6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZUAPMEKALVPKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN5O2/c1-14-18(15(2)29-22(28-14)19(12-27-29)21(25)31)7-8-20(30)26-13-23(9-4-10-23)16-5-3-6-17(24)11-16/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H2,25,31)(H,26,30).
What are the key properties of 6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 484.40 g/mol, XLogP of 3.38, 7 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]methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55975365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).