N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide

C24H24BrN5O2 — CID 142870279

IUPACN-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)CCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12
InChIInChI=1S/C24H24BrN5O2/c1-16-8-3-4-9-17(16)24(32)29(2)13-7-12-26-22-14-20(18-10-5-6-11-21(18)31)28-23-19(25)15-27-30(22)23/h3-6,8-11,14-15,26,31H,7,12-13H2,1-2H3
InChIKeyNJZVXZAWXBDKDY-UHFFFAOYSA-N
MW494.39 g/mol
LogP4.75
Rot. Bonds7

About N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide

N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide (PubChem CID 142870279) has the molecular formula C24H24BrN5O2 and a molecular weight of 494.39 g/mol. Its IUPAC name is N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide
PubChem CID142870279
Molecular FormulaC24H24BrN5O2
Molecular Weight494.39 g/mol
Exact Mass493.11
IUPAC NameN-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)CCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12
InChIInChI=1S/C24H24BrN5O2/c1-16-8-3-4-9-17(16)24(32)29(2)13-7-12-26-22-14-20(18-10-5-6-11-21(18)31)28-23-19(25)15-27-30(22)23/h3-6,8-11,14-15,26,31H,7,12-13H2,1-2H3
InChIKeyNJZVXZAWXBDKDY-UHFFFAOYSA-N
XLogP4.75
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide
CID 142871149
4-[[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-methylamino]methyl]benzene-1,3-diol
CID 142871464
2-[3-bromo-7-[3-[cyclopentyl(methyl)amino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 142870766
4-acetamido-N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylbenzamide
CID 21066354
tert-butyl N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylcarbamate
CID 21068496
2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 142871060
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methyl-2-phenylsulfanylacetamide
CID 21067938
N'-[3-bromo-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylpropane-1,3-diamine
CID 70843397
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 21067912
methyl 9-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-oxononanoate
CID 142870749
N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-methylsulfanylacetamide
CID 143440963
N-[4-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-3-phenoxypropanamide
CID 142870315

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide?
The IUPAC name of N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide (CID 142870279) is N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide.
What is the SMILES notation for N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide?
The canonical SMILES for N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)CCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12.
What is the InChIKey of N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide?
The InChIKey is NJZVXZAWXBDKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN5O2/c1-16-8-3-4-9-17(16)24(32)29(2)13-7-12-26-22-14-20(18-10-5-6-11-21(18)31)28-23-19(25)15-27-30(22)23/h3-6,8-11,14-15,26,31H,7,12-13H2,1-2H3.
What are the key properties of N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide?
N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide has a molecular weight of 494.39 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 142870279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).