(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone

C23H21N3OS2 — CID 122624340

IUPAC(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C23H21N3OS2/c24-20-19-16(15-8-3-1-4-9-15)14-17(18-10-7-13-28-18)25-22(19)29-21(20)23(27)26-11-5-2-6-12-26/h1,3-4,7-10,13-14H,2,5-6,11-12,24H2
InChIKeyCYQWYPOWLYRDJH-UHFFFAOYSA-N
MW419.58 g/mol
LogP5.90
Rot. Bonds3

About (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone

(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone (PubChem CID 122624340) has the molecular formula C23H21N3OS2 and a molecular weight of 419.58 g/mol. Its IUPAC name is (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
PubChem CID122624340
Molecular FormulaC23H21N3OS2
Molecular Weight419.58 g/mol
Exact Mass419.11
IUPAC Name(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C23H21N3OS2/c24-20-19-16(15-8-3-1-4-9-15)14-17(18-10-7-13-28-18)25-22(19)29-21(20)23(27)26-11-5-2-6-12-26/h1,3-4,7-10,13-14H,2,5-6,11-12,24H2
InChIKeyCYQWYPOWLYRDJH-UHFFFAOYSA-N
XLogP5.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.58
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone with MolForge

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Related Compounds

4-phenyl-2-piperidin-1-ylsulfonyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 122624276
4-phenyl-2-piperidin-1-ylsulfanyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 145170881
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1147313
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390
(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 23915429
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
CID 35177384
4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol
CID 118050770
(1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone
CID 16644543
3,6-diamino-2-(azepane-1-carbonyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 23744146
propyl 3-methyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
CID 155786799
[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23859670

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone (CID 122624340) is (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone is Nc1c(C(=O)N2CCCCC2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.
What is the InChIKey of (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone?
The InChIKey is CYQWYPOWLYRDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS2/c24-20-19-16(15-8-3-1-4-9-15)14-17(18-10-7-13-28-18)25-22(19)29-21(20)23(27)26-11-5-2-6-12-26/h1,3-4,7-10,13-14H,2,5-6,11-12,24H2.
What are the key properties of (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone?
(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone has a molecular weight of 419.58 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 122624340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).