N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide

C20H18BrN5O2S — CID 142871044

IUPACN-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12
InChIInChI=1S/C20H18BrN5O2S/c21-15-12-24-26-18(22-7-8-23-19(28)10-13-4-3-9-29-13)11-16(25-20(15)26)14-5-1-2-6-17(14)27/h1-6,9,11-12,22,27H,7-8,10H2,(H,23,28)
InChIKeyLXSFFFRVNZARHJ-UHFFFAOYSA-N
MW472.37 g/mol
LogP3.70
Rot. Bonds7

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

N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 142871044) has the molecular formula C20H18BrN5O2S and a molecular weight of 472.37 g/mol. Its IUPAC name is N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide
PubChem CID142871044
Molecular FormulaC20H18BrN5O2S
Molecular Weight472.37 g/mol
Exact Mass471.04
IUPAC NameN-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12
InChIInChI=1S/C20H18BrN5O2S/c21-15-12-24-26-18(22-7-8-23-19(28)10-13-4-3-9-29-13)11-16(25-20(15)26)14-5-1-2-6-17(14)27/h1-6,9,11-12,22,27H,7-8,10H2,(H,23,28)
InChIKeyLXSFFFRVNZARHJ-UHFFFAOYSA-N
XLogP3.70
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-methylsulfanylacetamide
CID 143440963
N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]thiophene-3-carboxamide
CID 142871456
N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-3-cyanobenzamide
CID 142870946
N-[4-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-3-phenoxypropanamide
CID 142870315
1-[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 21065497
N-[2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 21067510
N-[2-[[5-(2-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]thiophene-2-sulfonamide
CID 89365737
N-[3-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]thiophene-3-carboxamide
CID 142871357
N-[[4-[[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]-3-hydroxybenzamide
CID 142870657
N-[2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenoxybenzamide
CID 21067495
N-[2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-methylsulfanylbenzamide
CID 21067439
N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-N-methylpyridine-2-carboxamide
CID 142871149

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide (CID 142871044) is N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12.
What is the InChIKey of N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is LXSFFFRVNZARHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN5O2S/c21-15-12-24-26-18(22-7-8-23-19(28)10-13-4-3-9-29-13)11-16(25-20(15)26)14-5-1-2-6-17(14)27/h1-6,9,11-12,22,27H,7-8,10H2,(H,23,28).
What are the key properties of N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 472.37 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 142871044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).