2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine

C16H17BrN4 — CID 103128127

IUPAC2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1cnn2ccccc12
InChIInChI=1S/C16H17BrN4/c1-2-18-15(9-13-7-6-12(17)10-19-13)14-11-20-21-8-4-3-5-16(14)21/h3-8,10-11,15,18H,2,9H2,1H3
InChIKeyPZKYIOHJSUTLPX-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.39
Rot. Bonds5

About 2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine

2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine (PubChem CID 103128127) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
PubChem CID103128127
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1cnn2ccccc12
InChIInChI=1S/C16H17BrN4/c1-2-18-15(9-13-7-6-12(17)10-19-13)14-11-20-21-8-4-3-5-16(14)21/h3-8,10-11,15,18H,2,9H2,1H3
InChIKeyPZKYIOHJSUTLPX-UHFFFAOYSA-N
XLogP3.39
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103126126
N-ethyl-2-(1-methyltriazol-4-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 107064291
N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylbut-3-en-1-amine
CID 103126360
N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127281
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104802174
2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126121
2-(5-bromo-2-pyridinyl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 105036305
2-(5-bromo-2-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 105036461
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107977346
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105066036
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105180870
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine (CID 103128127) is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine is CCNC(Cc1ccc(Br)cn1)c1cnn2ccccc12.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine?
The InChIKey is PZKYIOHJSUTLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-2-18-15(9-13-7-6-12(17)10-19-13)14-11-20-21-8-4-3-5-16(14)21/h3-8,10-11,15,18H,2,9H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine?
2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine has a molecular weight of 345.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine is sourced from PubChem (CID 103128127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).