4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide

C21H21N9O — CID 143585647

IUPAC4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCNCC4)nc3)c3ncnn23)cc1
InChIInChI=1S/C21H21N9O/c22-19(31)15-3-1-14(2-4-15)17-12-25-20(21-26-13-27-30(17)21)28-16-5-6-18(24-11-16)29-9-7-23-8-10-29/h1-6,11-13,23H,7-10H2,(H2,22,31)(H,25,28)
InChIKeyZBTYAPGQPDTSPJ-UHFFFAOYSA-N
MW415.46 g/mol
LogP1.44
Rot. Bonds5

About 4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide

4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide (PubChem CID 143585647) has the molecular formula C21H21N9O and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide.

Molecular Properties

Compound Name4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide
PubChem CID143585647
Molecular FormulaC21H21N9O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCNCC4)nc3)c3ncnn23)cc1
InChIInChI=1S/C21H21N9O/c22-19(31)15-3-1-14(2-4-15)17-12-25-20(21-26-13-27-30(17)21)28-16-5-6-18(24-11-16)29-9-7-23-8-10-29/h1-6,11-13,23H,7-10H2,(H2,22,31)(H,25,28)
InChIKeyZBTYAPGQPDTSPJ-UHFFFAOYSA-N
XLogP1.44
TPSA126.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide with MolForge

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Related Compounds

N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 135979637
5-[8-(4-piperazin-1-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
CID 143585612
5-[5-(aminomethyl)-2-methylthiophen-3-yl]-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 163723480
4-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
CID 24947567
4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide
CID 25055156
4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide
CID 135146176
4-[3-ethyl-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide
CID 59023071
6-(2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide
CID 162767740
3-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1-benzothiophene-7-carboxamide
CID 24890644
N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 146525524
[5-[8-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophen-2-yl] carbamate
CID 68792133
1-[5-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]thiophen-2-yl]ethanone
CID 24888258

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide?
The IUPAC name of 4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide (CID 143585647) is 4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide.
What is the SMILES notation for 4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide?
The canonical SMILES for 4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide is NC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCNCC4)nc3)c3ncnn23)cc1.
What is the InChIKey of 4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide?
The InChIKey is ZBTYAPGQPDTSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O/c22-19(31)15-3-1-14(2-4-15)17-12-25-20(21-26-13-27-30(17)21)28-16-5-6-18(24-11-16)29-9-7-23-8-10-29/h1-6,11-13,23H,7-10H2,(H2,22,31)(H,25,28).
What are the key properties of 4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide?
4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide has a molecular weight of 415.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide is sourced from PubChem (CID 143585647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).