2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline

C16H11Cl2N5 — CID 87388834

IUPAC2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline
SMILESCCc1nc2ccccc2nc1-c1cc2nc(Cl)cc(Cl)n2n1
InChIInChI=1S/C16H11Cl2N5/c1-2-9-16(20-11-6-4-3-5-10(11)19-9)12-7-15-21-13(17)8-14(18)23(15)22-12/h3-8H,2H2,1H3
InChIKeyBTLFPEHTJLJEKC-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.21
Rot. Bonds2

About 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline

2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline (PubChem CID 87388834) has the molecular formula C16H11Cl2N5 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline.

Molecular Properties

Compound Name2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline
PubChem CID87388834
Molecular FormulaC16H11Cl2N5
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline
SMILESCCc1nc2ccccc2nc1-c1cc2nc(Cl)cc(Cl)n2n1
InChIInChI=1S/C16H11Cl2N5/c1-2-9-16(20-11-6-4-3-5-10(11)19-9)12-7-15-21-13(17)8-14(18)23(15)22-12/h3-8H,2H2,1H3
InChIKeyBTLFPEHTJLJEKC-UHFFFAOYSA-N
XLogP4.21
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine
CID 112694464
2-(3-ethylquinoxalin-2-yl)-5-[(3R)-3-fluoropyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71099810
7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82269989
2-(5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylquinoxaline
CID 89419976
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997
2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine
CID 87388103
7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 140990710
7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269952
7-chloro-2-(3-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269954
7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269959
3-[[5-(3-ethylquinoxalin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoic acid
CID 141303710
2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271662

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline?
The IUPAC name of 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline (CID 87388834) is 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline.
What is the SMILES notation for 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline?
The canonical SMILES for 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline is CCc1nc2ccccc2nc1-c1cc2nc(Cl)cc(Cl)n2n1.
What is the InChIKey of 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline?
The InChIKey is BTLFPEHTJLJEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5/c1-2-9-16(20-11-6-4-3-5-10(11)19-9)12-7-15-21-13(17)8-14(18)23(15)22-12/h3-8H,2H2,1H3.
What are the key properties of 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline?
2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline has a molecular weight of 344.21 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-ethylquinoxaline is sourced from PubChem (CID 87388834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).