methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate

C24H26FN3O4S — CID 45196650

IUPACmethyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(CN3CCCCC3CCO)ccc2c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O4S/c1-32-24(31)21-20(27-22(30)15-5-7-16(25)8-6-15)19-10-9-17(26-23(19)33-21)14-28-12-3-2-4-18(28)11-13-29/h5-10,18,29H,2-4,11-14H2,1H3,(H,27,30)
InChIKeyQCHRBZMEHPSSMF-UHFFFAOYSA-N
MW471.55 g/mol
LogP4.21
Rot. Bonds7

About methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate

methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 45196650) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate
PubChem CID45196650
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Namemethyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(CN3CCCCC3CCO)ccc2c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O4S/c1-32-24(31)21-20(27-22(30)15-5-7-16(25)8-6-15)19-10-9-17(26-23(19)33-21)14-28-12-3-2-4-18(28)11-13-29/h5-10,18,29H,2-4,11-14H2,1H3,(H,27,30)
InChIKeyQCHRBZMEHPSSMF-UHFFFAOYSA-N
XLogP4.21
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate with MolForge

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Related Compounds

3-Amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 3255800
3-Amino-4-(4-fluorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 1215283
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
[3-Amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone
CID 707716
3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 926746
3-amino-N-cyclohexyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 713424
Ethyl 3-amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 753891
Methyl 4-({[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)benzoate
CID 1006899
Methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 689249
Methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
Ethyl 3-amino-2-carbamoyl-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
CID 990724
[3-Amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-(4-phenyl-1-piperazinyl)methanone
CID 1093414

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate (CID 45196650) is methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(CN3CCCCC3CCO)ccc2c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is QCHRBZMEHPSSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-32-24(31)21-20(27-22(30)15-5-7-16(25)8-6-15)19-10-9-17(26-23(19)33-21)14-28-12-3-2-4-18(28)11-13-29/h5-10,18,29H,2-4,11-14H2,1H3,(H,27,30).
What are the key properties of methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 471.55 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorobenzoyl)amino]-6-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 45196650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).