1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone

C23H26N4O2S — CID 87048490

IUPAC1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3sc4nc(C)c(C)c(C)c4c3N)CC2)cc1
InChIInChI=1S/C23H26N4O2S/c1-13-14(2)19-20(24)21(30-22(19)25-15(13)3)23(29)27-11-9-26(10-12-27)18-7-5-17(6-8-18)16(4)28/h5-8H,9-12,24H2,1-4H3
InChIKeyZBWBXOFDVWNWNT-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.97
Rot. Bonds3

About 1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 87048490) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID87048490
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3sc4nc(C)c(C)c(C)c4c3N)CC2)cc1
InChIInChI=1S/C23H26N4O2S/c1-13-14(2)19-20(24)21(30-22(19)25-15(13)3)23(29)27-11-9-26(10-12-27)18-7-5-17(6-8-18)16(4)28/h5-8H,9-12,24H2,1-4H3
InChIKeyZBWBXOFDVWNWNT-UHFFFAOYSA-N
XLogP3.97
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87048503
1-[4-[4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 87048518
1-[4-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 27674640
(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23859628
1-[4-[4-(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87048523
1-[4-[4-(2-bromo-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167770167
3,6-diamino-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 23802457
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944904
1-[4-[4-(2-bromo-1,3-thiazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167757787
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 16944610
1-[4-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 1245042
(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
CID 35177384

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 87048490) is 1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3sc4nc(C)c(C)c(C)c4c3N)CC2)cc1.
What is the InChIKey of 1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is ZBWBXOFDVWNWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-13-14(2)19-20(24)21(30-22(19)25-15(13)3)23(29)27-11-9-26(10-12-27)18-7-5-17(6-8-18)16(4)28/h5-8H,9-12,24H2,1-4H3.
What are the key properties of 1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 422.55 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 87048490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).