3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid

C24H28F2N4O3S — CID 22269160

IUPAC3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCCc1cc(N2CCC(NCC(O)c3cc(F)cc(F)c3)CC2)nc2sc(C(=O)O)c(N)c12
InChIInChI=1S/C24H28F2N4O3S/c1-2-3-13-10-19(29-23-20(13)21(27)22(34-23)24(32)33)30-6-4-17(5-7-30)28-12-18(31)14-8-15(25)11-16(26)9-14/h8-11,17-18,28,31H,2-7,12,27H2,1H3,(H,32,33)
InChIKeyLYQHLUKEIUNUBA-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.10
Rot. Bonds8

About 3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 22269160) has the molecular formula C24H28F2N4O3S and a molecular weight of 490.58 g/mol. Its IUPAC name is 3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID22269160
Molecular FormulaC24H28F2N4O3S
Molecular Weight490.58 g/mol
Exact Mass490.19
IUPAC Name3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCCc1cc(N2CCC(NCC(O)c3cc(F)cc(F)c3)CC2)nc2sc(C(=O)O)c(N)c12
InChIInChI=1S/C24H28F2N4O3S/c1-2-3-13-10-19(29-23-20(13)21(27)22(34-23)24(32)33)30-6-4-17(5-7-30)28-12-18(31)14-8-15(25)11-16(26)9-14/h8-11,17-18,28,31H,2-7,12,27H2,1H3,(H,32,33)
InChIKeyLYQHLUKEIUNUBA-UHFFFAOYSA-N
XLogP4.10
TPSA111.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid 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

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
3-Amino-6-(3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400934
3-Amino-6-(4-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23401001
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid (CID 22269160) is 3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid is CCCc1cc(N2CCC(NCC(O)c3cc(F)cc(F)c3)CC2)nc2sc(C(=O)O)c(N)c12.
What is the InChIKey of 3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is LYQHLUKEIUNUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O3S/c1-2-3-13-10-19(29-23-20(13)21(27)22(34-23)24(32)33)30-6-4-17(5-7-30)28-12-18(31)14-8-15(25)11-16(26)9-14/h8-11,17-18,28,31H,2-7,12,27H2,1H3,(H,32,33).
What are the key properties of 3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 490.58 g/mol, XLogP of 4.10, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22269160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).