2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone

C19H21BrN6O — CID 134330794

IUPAC2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2cccc(Nc3nc4c(Br)cccn4n3)c2)CC1
InChIInChI=1S/C19H21BrN6O/c1-24-8-10-25(11-9-24)17(27)13-14-4-2-5-15(12-14)21-19-22-18-16(20)6-3-7-26(18)23-19/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyQJTCBJCWTXCYEO-UHFFFAOYSA-N
MW429.32 g/mol
LogP2.55
Rot. Bonds4

About 2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone

2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 134330794) has the molecular formula C19H21BrN6O and a molecular weight of 429.32 g/mol. Its IUPAC name is 2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID134330794
Molecular FormulaC19H21BrN6O
Molecular Weight429.32 g/mol
Exact Mass428.10
IUPAC Name2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2cccc(Nc3nc4c(Br)cccn4n3)c2)CC1
InChIInChI=1S/C19H21BrN6O/c1-24-8-10-25(11-9-24)17(27)13-14-4-2-5-15(12-14)21-19-22-18-16(20)6-3-7-26(18)23-19/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyQJTCBJCWTXCYEO-UHFFFAOYSA-N
XLogP2.55
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone (CID 134330794) is 2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cc2cccc(Nc3nc4c(Br)cccn4n3)c2)CC1.
What is the InChIKey of 2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is QJTCBJCWTXCYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN6O/c1-24-8-10-25(11-9-24)17(27)13-14-4-2-5-15(12-14)21-19-22-18-16(20)6-3-7-26(18)23-19/h2-7,12H,8-11,13H2,1H3,(H,21,23).
What are the key properties of 2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 429.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 134330794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).