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

C22H21BrN6O2 — CID 142871149

IUPACN-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide
SMILESCN(CCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12)C(=O)c1ccccn1
InChIInChI=1S/C22H21BrN6O2/c1-28(22(31)17-8-4-5-10-24-17)12-6-11-25-20-13-18(15-7-2-3-9-19(15)30)27-21-16(23)14-26-29(20)21/h2-5,7-10,13-14,25,30H,6,11-12H2,1H3
InChIKeyKYWBXMKBNFHBAP-UHFFFAOYSA-N
MW481.35 g/mol
LogP3.83
Rot. Bonds7

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

N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide (PubChem CID 142871149) has the molecular formula C22H21BrN6O2 and a molecular weight of 481.35 g/mol. Its IUPAC name is N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide
PubChem CID142871149
Molecular FormulaC22H21BrN6O2
Molecular Weight481.35 g/mol
Exact Mass480.09
IUPAC NameN-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide
SMILESCN(CCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12)C(=O)c1ccccn1
InChIInChI=1S/C22H21BrN6O2/c1-28(22(31)17-8-4-5-10-24-17)12-6-11-25-20-13-18(15-7-2-3-9-19(15)30)27-21-16(23)14-26-29(20)21/h2-5,7-10,13-14,25,30H,6,11-12H2,1H3
InChIKeyKYWBXMKBNFHBAP-UHFFFAOYSA-N
XLogP3.83
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 53.83
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

N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N,2-dimethylbenzamide
CID 142870279
4-[[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-methylamino]methyl]benzene-1,3-diol
CID 142871464
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-[[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
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 21067920
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-2-chloro-N-methylbenzenesulfonamide
CID 21067787
N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]thiophene-3-carboxamide
CID 142871456
N-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N'-cyclobutyl-N'-methylpropane-1,3-diamine
CID 21068400
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-2,3-dichloro-N-methylbenzenesulfonamide
CID 21067765

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-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide (CID 142871149) is N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide is CN(CCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12)C(=O)c1ccccn1.
What is the InChIKey of N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide?
The InChIKey is KYWBXMKBNFHBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN6O2/c1-28(22(31)17-8-4-5-10-24-17)12-6-11-25-20-13-18(15-7-2-3-9-19(15)30)27-21-16(23)14-26-29(20)21/h2-5,7-10,13-14,25,30H,6,11-12H2,1H3.
What are the key properties of N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide?
N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide has a molecular weight of 481.35 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-methylpyridine-2-carboxamide is sourced from PubChem (CID 142871149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).