N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide

C23H18BrN7O — CID 138692369

IUPACN-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
SMILESCc1cccc(-n2nc(CC(=O)Nc3ccc(Br)cc3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H18BrN7O/c1-15-3-2-4-22(27-15)31-20(16-5-10-21-25-14-26-30(21)13-16)11-19(29-31)12-23(32)28-18-8-6-17(24)7-9-18/h2-11,13-14H,12H2,1H3,(H,28,32)
InChIKeyMLLAIFXKCZDWON-UHFFFAOYSA-N
MW488.35 g/mol
LogP4.23
Rot. Bonds5

About N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide

N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide (PubChem CID 138692369) has the molecular formula C23H18BrN7O and a molecular weight of 488.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
PubChem CID138692369
Molecular FormulaC23H18BrN7O
Molecular Weight488.35 g/mol
Exact Mass487.08
IUPAC NameN-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
SMILESCc1cccc(-n2nc(CC(=O)Nc3ccc(Br)cc3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H18BrN7O/c1-15-3-2-4-22(27-15)31-20(16-5-10-21-25-14-26-30(21)13-16)11-19(29-31)12-23(32)28-18-8-6-17(24)7-9-18/h2-11,13-14H,12H2,1H3,(H,28,32)
InChIKeyMLLAIFXKCZDWON-UHFFFAOYSA-N
XLogP4.23
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
CID 137348547
1,1,5'-Trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 167362923
N-[4-(4-bromophenyl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-phenylacetamide
CID 46206809
N-(4-bromophenyl)-N'-pyrido[1',2':1,5]pyrazolo[3,4-d]pyrimidin-4-ylurea
CID 11689490
1-(3-(4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)phenyl)-3-phenylurea
CID 44587584
(2-bromophenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 53324912
4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494670
4-bromo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766466
1-(1-Methylethyl)-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-6-(4-pyridinyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 56597562
N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66555955
N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328789

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide (CID 138692369) is N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide is Cc1cccc(-n2nc(CC(=O)Nc3ccc(Br)cc3)cc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?
The InChIKey is MLLAIFXKCZDWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN7O/c1-15-3-2-4-22(27-15)31-20(16-5-10-21-25-14-26-30(21)13-16)11-19(29-31)12-23(32)28-18-8-6-17(24)7-9-18/h2-11,13-14H,12H2,1H3,(H,28,32).
What are the key properties of N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?
N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide has a molecular weight of 488.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 138692369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).