1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone

C25H25N5O2 — CID 97447825

IUPAC1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1
InChIInChI=1S/C25H25N5O2/c31-24(18-32-22-9-5-2-6-10-22)29-15-13-19(14-16-29)25-27-23-12-11-21(17-30(23)28-25)26-20-7-3-1-4-8-20/h1-12,17,19,26H,13-16,18H2
InChIKeyBNSCXASIONSGCU-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.26
Rot. Bonds6

About 1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone

1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 97447825) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone
PubChem CID97447825
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1
InChIInChI=1S/C25H25N5O2/c31-24(18-32-22-9-5-2-6-10-22)29-15-13-19(14-16-29)25-27-23-12-11-21(17-30(23)28-25)26-20-7-3-1-4-8-20/h1-12,17,19,26H,13-16,18H2
InChIKeyBNSCXASIONSGCU-UHFFFAOYSA-N
XLogP4.26
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone with MolForge

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Related Compounds

[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97362352
[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155833117
[4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone
CID 97447816
2-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155829351
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
CID 3973578
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110084796
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 95809413
1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110085539
(2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate
CID 2556596

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone (CID 97447825) is 1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1.
What is the InChIKey of 1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is BNSCXASIONSGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-24(18-32-22-9-5-2-6-10-22)29-15-13-19(14-16-29)25-27-23-12-11-21(17-30(23)28-25)26-20-7-3-1-4-8-20/h1-12,17,19,26H,13-16,18H2.
What are the key properties of 1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone?
1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 427.51 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 97447825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).