N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide

C18H14BrN7O — CID 86619666

IUPACN-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(Nc2ncc(Br)n3ncnc23)cn1
InChIInChI=1S/C18H14BrN7O/c19-14-10-21-17(18-22-11-23-26(14)18)24-13-6-7-15(20-9-13)25-16(27)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,21,24)(H,20,25,27)
InChIKeyMVWGNKYTOGQSQR-UHFFFAOYSA-N
MW424.26 g/mol
LogP3.21
Rot. Bonds5

About N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide

N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide (PubChem CID 86619666) has the molecular formula C18H14BrN7O and a molecular weight of 424.26 g/mol. Its IUPAC name is N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide
PubChem CID86619666
Molecular FormulaC18H14BrN7O
Molecular Weight424.26 g/mol
Exact Mass423.04
IUPAC NameN-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(Nc2ncc(Br)n3ncnc23)cn1
InChIInChI=1S/C18H14BrN7O/c19-14-10-21-17(18-22-11-23-26(14)18)24-13-6-7-15(20-9-13)25-16(27)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,21,24)(H,20,25,27)
InChIKeyMVWGNKYTOGQSQR-UHFFFAOYSA-N
XLogP3.21
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.26
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide
CID 113033886
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide
CID 113035518
methyl 4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]amino]benzoate
CID 113035396
N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
CID 113026424
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022490
N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022523
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
N-[(5-bromo-2-pyridinyl)carbamothioyl]-2-phenylacetamide
CID 1346272
2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide
CID 113031585
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide (CID 86619666) is N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(Nc2ncc(Br)n3ncnc23)cn1.
What is the InChIKey of N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is MVWGNKYTOGQSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN7O/c19-14-10-21-17(18-22-11-23-26(14)18)24-13-6-7-15(20-9-13)25-16(27)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,21,24)(H,20,25,27).
What are the key properties of N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide?
N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 424.26 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 86619666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).