3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

C22H23F3N4O3S — CID 23405989

IUPAC3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(N3CCC(NC[C@H](O)c4ccccc4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C22H23F3N4O3S/c23-22(24,25)14-10-16(28-20-17(14)18(26)19(33-20)21(31)32)29-8-6-13(7-9-29)27-11-15(30)12-4-2-1-3-5-12/h1-5,10,13,15,27,30H,6-9,11,26H2,(H,31,32)/t15-/m0/s1
InChIKeyAMYVVXJATHSBJU-HNNXBMFYSA-N
MW480.51 g/mol
LogP3.89
Rot. Bonds6

About 3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 23405989) has the molecular formula C22H23F3N4O3S and a molecular weight of 480.51 g/mol. Its IUPAC name is 3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID23405989
Molecular FormulaC22H23F3N4O3S
Molecular Weight480.51 g/mol
Exact Mass480.14
IUPAC Name3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(N3CCC(NC[C@H](O)c4ccccc4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C22H23F3N4O3S/c23-22(24,25)14-10-16(28-20-17(14)18(26)19(33-20)21(31)32)29-8-6-13(7-9-29)27-11-15(30)12-4-2-1-3-5-12/h1-5,10,13,15,27,30H,6-9,11,26H2,(H,31,32)/t15-/m0/s1
InChIKeyAMYVVXJATHSBJU-HNNXBMFYSA-N
XLogP3.89
TPSA111.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid with MolForge

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Related Compounds

1-amino-8,8-dimethyl-5-morpholino-N-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 3722012
Ethyl 1-amino-7-benzyl-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate
CID 1387000
3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 155817231
3-amino-6-[4-[[(2S)-2-hydroxy-2-pyridin-2-ylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 21064650
2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-(1-benzothiophen-2-yl)pyridine-3-carboxylic acid
CID 56879807
3-Amino-6-[4-[(2-hydroxy-2-pyridin-4-ylethyl)amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11155878
3-Amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11213796
3-Amino-6-[4-[[2-hydroxy-2-(6-methylpyridin-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11248938
3-Amino-6-[4-[(2-hydroxy-2-quinolin-3-ylethyl)amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11249549
3-Amino-6-[4-[(2-hydroxy-2-isoquinolin-1-ylethyl)amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11272538
3-Amino-6-[4-[(2-hydroxy-2-quinolin-2-ylethyl)amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11307086
3-Amino-6-[4-[(2-hydroxy-2-quinolin-4-ylethyl)amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11387000

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 23405989) is 3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is Nc1c(C(=O)O)sc2nc(N3CCC(NC[C@H](O)c4ccccc4)CC3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is AMYVVXJATHSBJU-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23F3N4O3S/c23-22(24,25)14-10-16(28-20-17(14)18(26)19(33-20)21(31)32)29-8-6-13(7-9-29)27-11-15(30)12-4-2-1-3-5-12/h1-5,10,13,15,27,30H,6-9,11,26H2,(H,31,32)/t15-/m0/s1.
What are the key properties of 3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 480.51 g/mol, XLogP of 3.89, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 23405989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).