[4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone

C29H31FN6O2 — CID 91129811

IUPAC[4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCC1(F)CCN(Cc2ccc(-c3cccn4nc(Nc5ccc(C(=O)N6CC(O)C6)cc5)nc34)cc2)CC1
InChIInChI=1S/C29H31FN6O2/c1-29(30)12-15-34(16-13-29)17-20-4-6-21(7-5-20)25-3-2-14-36-26(25)32-28(33-36)31-23-10-8-22(9-11-23)27(38)35-18-24(37)19-35/h2-11,14,24,37H,12-13,15-19H2,1H3,(H,31,33)
InChIKeyDUHBNBYGZKJJAH-UHFFFAOYSA-N
MW514.61 g/mol
LogP4.28
Rot. Bonds6

About [4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone

[4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 91129811) has the molecular formula C29H31FN6O2 and a molecular weight of 514.61 g/mol. Its IUPAC name is [4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID91129811
Molecular FormulaC29H31FN6O2
Molecular Weight514.61 g/mol
Exact Mass514.25
IUPAC Name[4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCC1(F)CCN(Cc2ccc(-c3cccn4nc(Nc5ccc(C(=O)N6CC(O)C6)cc5)nc34)cc2)CC1
InChIInChI=1S/C29H31FN6O2/c1-29(30)12-15-34(16-13-29)17-20-4-6-21(7-5-20)25-3-2-14-36-26(25)32-28(33-36)31-23-10-8-22(9-11-23)27(38)35-18-24(37)19-35/h2-11,14,24,37H,12-13,15-19H2,1H3,(H,31,33)
InChIKeyDUHBNBYGZKJJAH-UHFFFAOYSA-N
XLogP4.28
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.61
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9555022, Example 02.29
CID 54770142
[4-[[8-(4-Methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 59199010
N-[3-cyclopropyl-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 155214180
3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide
CID 154585730
N-benzyl-4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
CID 156021553
N-(3-(2-morpholinopyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 24768568
N-(4-((4-(2-Hydroxyethyl)piperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 24826879
1-[3-[5-(4-Morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone
CID 24994202
3-[2-(Imidazo[1,2-b]pyridazin-3-yl)ethyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
CID 46837264
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
CID 51037822
[4-[(5-Amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 56593685
1H-Pyrazolo[3,4-b]pyridine-4-carboxaMide, N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-1-(1-Methylethyl)-6-[4-(4-MorpholinylMethyl)phenyl]-
CID 60160559

Frequently Asked Questions

What is the IUPAC name of [4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone (CID 91129811) is [4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone is CC1(F)CCN(Cc2ccc(-c3cccn4nc(Nc5ccc(C(=O)N6CC(O)C6)cc5)nc34)cc2)CC1.
What is the InChIKey of [4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is DUHBNBYGZKJJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O2/c1-29(30)12-15-34(16-13-29)17-20-4-6-21(7-5-20)25-3-2-14-36-26(25)32-28(33-36)31-23-10-8-22(9-11-23)27(38)35-18-24(37)19-35/h2-11,14,24,37H,12-13,15-19H2,1H3,(H,31,33).
What are the key properties of [4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone?
[4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 514.61 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-[4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 91129811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).