4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole

C27H29N7O2 — CID 143929731

IUPAC4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole
SMILESCOc1ccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)cc1.Cc1nn(C)c(C)c1C
InChIInChI=1S/C20H17N5O2.C7H12N2/c1-27-16-11-7-13(8-12-16)17-3-2-4-18-23-20(24-25(17)18)22-15-9-5-14(6-10-15)19(21)26;1-5-6(2)8-9(4)7(5)3/h2-12H,1H3,(H2,21,26)(H,22,24);1-4H3
InChIKeyJCHBVQYAXBTSFE-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.59
Rot. Bonds5

About 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole

4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole (PubChem CID 143929731) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole.

Molecular Properties

Compound Name4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole
PubChem CID143929731
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole
SMILESCOc1ccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)cc1.Cc1nn(C)c(C)c1C
InChIInChI=1S/C20H17N5O2.C7H12N2/c1-27-16-11-7-13(8-12-16)17-3-2-4-18-23-20(24-25(17)18)22-15-9-5-14(6-10-15)19(21)26;1-5-6(2)8-9(4)7(5)3/h2-12H,1H3,(H2,21,26)(H,22,24);1-4H3
InChIKeyJCHBVQYAXBTSFE-UHFFFAOYSA-N
XLogP4.59
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91017506
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide
CID 44624093
4-[[5-[4-(cyanomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44624361
5-(4-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44624158
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-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 44624293
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-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59276580
1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one
CID 148943934
N-(2-aminoethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44556015
5-(3-fluorophenyl)-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186452
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
CID 67293656

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole?
The IUPAC name of 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole (CID 143929731) is 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole.
What is the SMILES notation for 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole?
The canonical SMILES for 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole is COc1ccc(-c2cccc3nc(Nc4ccc(C(N)=O)cc4)nn23)cc1.Cc1nn(C)c(C)c1C.
What is the InChIKey of 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole?
The InChIKey is JCHBVQYAXBTSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2.C7H12N2/c1-27-16-11-7-13(8-12-16)17-3-2-4-18-23-20(24-25(17)18)22-15-9-5-14(6-10-15)19(21)26;1-5-6(2)8-9(4)7(5)3/h2-12H,1H3,(H2,21,26)(H,22,24);1-4H3.
What are the key properties of 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole?
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole has a molecular weight of 483.58 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1,3,4,5-tetramethylpyrazole is sourced from PubChem (CID 143929731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).