2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide

C23H21N5O3S — CID 70832365

IUPAC2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(Nc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1)C(N)=O
InChIInChI=1S/C23H21N5O3S/c1-14(22(24)29)32-17-8-6-16(7-9-17)25-23-26-21-4-2-3-18(28(21)27-23)15-5-10-19-20(13-15)31-12-11-30-19/h2-10,13-14H,11-12H2,1H3,(H2,24,29)(H,25,27)
InChIKeyUJTJJQHZTBHDMA-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.88
Rot. Bonds6

About 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide

2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide (PubChem CID 70832365) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide
PubChem CID70832365
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(Nc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1)C(N)=O
InChIInChI=1S/C23H21N5O3S/c1-14(22(24)29)32-17-8-6-16(7-9-17)25-23-26-21-4-2-3-18(28(21)27-23)15-5-10-19-20(13-15)31-12-11-30-19/h2-10,13-14H,11-12H2,1H3,(H2,24,29)(H,25,27)
InChIKeyUJTJJQHZTBHDMA-UHFFFAOYSA-N
XLogP3.88
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide with MolForge

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Related Compounds

2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenoxy]propanamide
CID 70832468
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589968
1-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]anilino]-2-pyrrolidin-1-ylpropan-1-ol
CID 126668187
1-N-[2-(diethylamino)ethyl]-4-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzene-1,4-diamine
CID 70832470
3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]sulfanylbut-1-en-2-amine
CID 161334046
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42597961
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 68706149
bis(5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine);N,N-dimethylbutan-1-amine;(E)-N,N-dimethylbut-2-en-1-amine
CID 159481263
4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91017506
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
CID 67293656
N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42597468
N-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]propane-2-sulfonamide
CID 91110193

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide?
The IUPAC name of 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide (CID 70832365) is 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide.
What is the SMILES notation for 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide?
The canonical SMILES for 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide is CC(Sc1ccc(Nc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1)C(N)=O.
What is the InChIKey of 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide?
The InChIKey is UJTJJQHZTBHDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-14(22(24)29)32-17-8-6-16(7-9-17)25-23-26-21-4-2-3-18(28(21)27-23)15-5-10-19-20(13-15)31-12-11-30-19/h2-10,13-14H,11-12H2,1H3,(H2,24,29)(H,25,27).
What are the key properties of 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide?
2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide has a molecular weight of 447.52 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]sulfanylpropanamide is sourced from PubChem (CID 70832365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).