3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid

C22H24N4O3S — CID 22278581

IUPAC3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCOc1ccc(/C=C/c2cc(N3CCC(N)CC3)nc3sc(C(=O)O)c(N)c23)cc1
InChIInChI=1S/C22H24N4O3S/c1-29-16-6-3-13(4-7-16)2-5-14-12-17(26-10-8-15(23)9-11-26)25-21-18(14)19(24)20(30-21)22(27)28/h2-7,12,15H,8-11,23-24H2,1H3,(H,27,28)/b5-2+
InChIKeyDOLOSTRKGKRABH-GORDUTHDSA-N
MW424.53 g/mol
LogP3.68
Rot. Bonds5

About 3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 22278581) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID22278581
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCOc1ccc(/C=C/c2cc(N3CCC(N)CC3)nc3sc(C(=O)O)c(N)c23)cc1
InChIInChI=1S/C22H24N4O3S/c1-29-16-6-3-13(4-7-16)2-5-14-12-17(26-10-8-15(23)9-11-26)25-21-18(14)19(24)20(30-21)22(27)28/h2-7,12,15H,8-11,23-24H2,1H3,(H,27,28)/b5-2+
InChIKeyDOLOSTRKGKRABH-GORDUTHDSA-N
XLogP3.68
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 22278563
3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 22278572
3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 22269198
tert-butyl N-[1-[3-amino-2-carbamoyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-6-yl]piperidin-4-yl]carbamate
CID 74048034
3-amino-4-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269266
6-(4-aminopiperidin-1-yl)-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridin-3-amine
CID 141077743
3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 22269207
3-amino-6-[(3S)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 23400853
3-amino-6-[(3R)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 142776840
3-amino-6-(4-aminopiperidin-1-yl)-4-[3-fluoro-4-(methyliminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 142840255
3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278580
3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269064

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid (CID 22278581) is 3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid is COc1ccc(/C=C/c2cc(N3CCC(N)CC3)nc3sc(C(=O)O)c(N)c23)cc1.
What is the InChIKey of 3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is DOLOSTRKGKRABH-GORDUTHDSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-29-16-6-3-13(4-7-16)2-5-14-12-17(26-10-8-15(23)9-11-26)25-21-18(14)19(24)20(30-21)22(27)28/h2-7,12,15H,8-11,23-24H2,1H3,(H,27,28)/b5-2+.
What are the key properties of 3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 424.53 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22278581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).