1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one

C27H29N5O3 — CID 148943934

IUPAC1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one
SMILESCOc1ccc(-c2cccc3nc(Nc4ccc(C(=O)CCCN5CCOCC5)cc4)nn23)cc1
InChIInChI=1S/C27H29N5O3/c1-34-23-13-9-20(10-14-23)24-4-2-6-26-29-27(30-32(24)26)28-22-11-7-21(8-12-22)25(33)5-3-15-31-16-18-35-19-17-31/h2,4,6-14H,3,5,15-19H2,1H3,(H,28,30)
InChIKeyPOLQTHXNCIBEFQ-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.44
Rot. Bonds9

About 1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one

1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one (PubChem CID 148943934) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one
PubChem CID148943934
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one
SMILESCOc1ccc(-c2cccc3nc(Nc4ccc(C(=O)CCCN5CCOCC5)cc4)nn23)cc1
InChIInChI=1S/C27H29N5O3/c1-34-23-13-9-20(10-14-23)24-4-2-6-26-29-27(30-32(24)26)28-22-11-7-21(8-12-22)25(33)5-3-15-31-16-18-35-19-17-31/h2,4,6-14H,3,5,15-19H2,1H3,(H,28,30)
InChIKeyPOLQTHXNCIBEFQ-UHFFFAOYSA-N
XLogP4.44
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(2-pyrrolidin-1-ylethyl)benzamide
CID 44624635
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide
CID 44624093
N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide
CID 147531667
4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 143916147
N,N-dimethyl-4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 159881017
5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70240412
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
5-(4-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44624158
5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916204
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]benzamide;1,3,4,5-tetramethylpyrazole
CID 143929731

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one?
The IUPAC name of 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) is 1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one is COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)CCCN5CCOCC5)cc4)nn23)cc1.
What is the InChIKey of 1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one?
The InChIKey is POLQTHXNCIBEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-34-23-13-9-20(10-14-23)24-4-2-6-26-29-27(30-32(24)26)28-22-11-7-21(8-12-22)25(33)5-3-15-31-16-18-35-19-17-31/h2,4,6-14H,3,5,15-19H2,1H3,(H,28,30).
What are the key properties of 1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one?
1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one has a molecular weight of 471.56 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 148943934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).