2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol

C24H26BrN5O2 — CID 142871060

IUPAC2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
SMILESCOc1ccccc1CN(C)CCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12
InChIInChI=1S/C24H26BrN5O2/c1-29(16-17-8-3-6-11-22(17)32-2)13-7-12-26-23-14-20(18-9-4-5-10-21(18)31)28-24-19(25)15-27-30(23)24/h3-6,8-11,14-15,26,31H,7,12-13,16H2,1-2H3
InChIKeyYXARHRLVUAMLSL-UHFFFAOYSA-N
MW496.41 g/mol
LogP4.81
Rot. Bonds9

About 2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol

2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol (PubChem CID 142871060) has the molecular formula C24H26BrN5O2 and a molecular weight of 496.41 g/mol. Its IUPAC name is 2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
PubChem CID142871060
Molecular FormulaC24H26BrN5O2
Molecular Weight496.41 g/mol
Exact Mass495.13
IUPAC Name2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
SMILESCOc1ccccc1CN(C)CCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12
InChIInChI=1S/C24H26BrN5O2/c1-29(16-17-8-3-6-11-22(17)32-2)13-7-12-26-23-14-20(18-9-4-5-10-21(18)31)28-24-19(25)15-27-30(23)24/h3-6,8-11,14-15,26,31H,7,12-13,16H2,1-2H3
InChIKeyYXARHRLVUAMLSL-UHFFFAOYSA-N
XLogP4.81
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.41
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide
CID 142871149
3-[[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-methylamino]methyl]phenol
CID 21065805
methyl 4-[[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-methylamino]methyl]benzoate
CID 21067308
methyl 9-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-oxononanoate
CID 142870749
N-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N'-methyl-N'-[(4-phenoxyphenyl)methyl]propane-1,3-diamine
CID 21068421
N-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N'-methyl-N'-[(3-phenoxyphenyl)methyl]propane-1,3-diamine
CID 21068414
N'-(1-benzofuran-2-ylmethyl)-N-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N'-methylpropane-1,3-diamine
CID 21068443
N-[4-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-3-phenoxypropanamide
CID 142870315
N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-methylsulfanylacetamide
CID 143440963
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-2-chloro-N-methylbenzenesulfonamide
CID 21067787

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol?
The IUPAC name of 2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol (CID 142871060) is 2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol.
What is the SMILES notation for 2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol?
The canonical SMILES for 2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol is COc1ccccc1CN(C)CCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12.
What is the InChIKey of 2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol?
The InChIKey is YXARHRLVUAMLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN5O2/c1-29(16-17-8-3-6-11-22(17)32-2)13-7-12-26-23-14-20(18-9-4-5-10-21(18)31)28-24-19(25)15-27-30(23)24/h3-6,8-11,14-15,26,31H,7,12-13,16H2,1-2H3.
What are the key properties of 2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol?
2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol has a molecular weight of 496.41 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-7-[3-[(2-methoxyphenyl)methyl-methylamino]propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol is sourced from PubChem (CID 142871060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).