4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide

C26H27ClN6O — CID 59186371

IUPAC4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2ccc(Nc3nc4cccc(-c5cccc(Cl)c5)n4n3)cc2)CC1
InChIInChI=1S/C26H27ClN6O/c1-32-14-12-18(13-15-32)17-28-25(34)19-8-10-22(11-9-19)29-26-30-24-7-3-6-23(33(24)31-26)20-4-2-5-21(27)16-20/h2-11,16,18H,12-15,17H2,1H3,(H,28,34)(H,29,31)
InChIKeyBVUKOYQLLFXLRR-UHFFFAOYSA-N
MW475.00 g/mol
LogP4.86
Rot. Bonds6

About 4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide

4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 59186371) has the molecular formula C26H27ClN6O and a molecular weight of 475.00 g/mol. Its IUPAC name is 4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID59186371
Molecular FormulaC26H27ClN6O
Molecular Weight475.00 g/mol
Exact Mass474.19
IUPAC Name4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2ccc(Nc3nc4cccc(-c5cccc(Cl)c5)n4n3)cc2)CC1
InChIInChI=1S/C26H27ClN6O/c1-32-14-12-18(13-15-32)17-28-25(34)19-8-10-22(11-9-19)29-26-30-24-7-3-6-23(33(24)31-26)20-4-2-5-21(27)16-20/h2-11,16,18H,12-15,17H2,1H3,(H,28,34)(H,29,31)
InChIKeyBVUKOYQLLFXLRR-UHFFFAOYSA-N
XLogP4.86
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.00
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 142761823
N-(cyclohexylmethyl)-4-[[5-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70912615
[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 59186189
4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 143916178
N-(2-aminoethyl)-4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 157471737
N-(2-methoxyethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59186391
N-(2-aminoethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44556015
4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59186275
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 70244536
4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186532
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 44624635
4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide;4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 161234295

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 59186371) is 4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide is CN1CCC(CNC(=O)c2ccc(Nc3nc4cccc(-c5cccc(Cl)c5)n4n3)cc2)CC1.
What is the InChIKey of 4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is BVUKOYQLLFXLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O/c1-32-14-12-18(13-15-32)17-28-25(34)19-8-10-22(11-9-19)29-26-30-24-7-3-6-23(33(24)31-26)20-4-2-5-21(27)16-20/h2-11,16,18H,12-15,17H2,1H3,(H,28,34)(H,29,31).
What are the key properties of 4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 475.00 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 59186371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).