6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine

C15H11BrClN7 — CID 175967483

IUPAC6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine
SMILESClc1nc(-n2ccc(Br)n2)c2ncn(CCc3ccccn3)c2n1
InChIInChI=1S/C15H11BrClN7/c16-11-5-8-24(22-11)14-12-13(20-15(17)21-14)23(9-19-12)7-4-10-3-1-2-6-18-10/h1-3,5-6,8-9H,4,7H2
InChIKeyUNWFGRCSNGVPRO-UHFFFAOYSA-N
MW404.66 g/mol
LogP3.07
Rot. Bonds4

About 6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine

6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine (PubChem CID 175967483) has the molecular formula C15H11BrClN7 and a molecular weight of 404.66 g/mol. Its IUPAC name is 6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine.

Molecular Properties

Compound Name6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine
PubChem CID175967483
Molecular FormulaC15H11BrClN7
Molecular Weight404.66 g/mol
Exact Mass402.99
IUPAC Name6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine
SMILESClc1nc(-n2ccc(Br)n2)c2ncn(CCc3ccccn3)c2n1
InChIInChI=1S/C15H11BrClN7/c16-11-5-8-24(22-11)14-12-13(20-15(17)21-14)23(9-19-12)7-4-10-3-1-2-6-18-10/h1-3,5-6,8-9H,4,7H2
InChIKeyUNWFGRCSNGVPRO-UHFFFAOYSA-N
XLogP3.07
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.66
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[2-chloro-9-(2-oxo-2-pyridin-2-ylethyl)purin-6-yl]pyrazole-3-carboxylate
CID 170724579
2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine
CID 130834125
6-chloro-1-(2-pyridin-2-ylethyl)indole
CID 116620589
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one
CID 11580840
9-(2-pyridin-2-ylethyl)purine-2-carboxamide
CID 154234866
8-(2,4-dichlorophenyl)sulfanyl-3-(2-pyridin-2-ylethyl)-7H-purin-6-imine
CID 136967449
3-(2-chloro-6-morpholin-4-ylpurin-9-yl)propanoic acid
CID 123591133
1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde
CID 62221205
1-(2-pyridin-2-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403256
3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid
CID 102604824

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine?
The IUPAC name of 6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine (CID 175967483) is 6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine.
What is the SMILES notation for 6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine?
The canonical SMILES for 6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine is Clc1nc(-n2ccc(Br)n2)c2ncn(CCc3ccccn3)c2n1.
What is the InChIKey of 6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine?
The InChIKey is UNWFGRCSNGVPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN7/c16-11-5-8-24(22-11)14-12-13(20-15(17)21-14)23(9-19-12)7-4-10-3-1-2-6-18-10/h1-3,5-6,8-9H,4,7H2.
What are the key properties of 6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine?
6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine has a molecular weight of 404.66 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine is sourced from PubChem (CID 175967483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).