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

C23H26N4O2S — CID 87048503

IUPAC1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCCCc1ccc2c(N)c(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)sc2n1
InChIInChI=1S/C23H26N4O2S/c1-3-4-17-7-10-19-20(24)21(30-22(19)25-17)23(29)27-13-11-26(12-14-27)18-8-5-16(6-9-18)15(2)28/h5-10H,3-4,11-14,24H2,1-2H3
InChIKeyOOPKCTPOEQXQHG-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.00
Rot. Bonds5

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

1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 87048503) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID87048503
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCCCc1ccc2c(N)c(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)sc2n1
InChIInChI=1S/C23H26N4O2S/c1-3-4-17-7-10-19-20(24)21(30-22(19)25-17)23(29)27-13-11-26(12-14-27)18-8-5-16(6-9-18)15(2)28/h5-10H,3-4,11-14,24H2,1-2H3
InChIKeyOOPKCTPOEQXQHG-UHFFFAOYSA-N
XLogP4.00
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(3-amino-6-propylthieno[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-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 87048518
1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87048490
(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
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23971348
1-[4-[4-(2-bromo-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167770167
3-amino-N,N-dicyclohexyl-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23971322
1-[4-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 1245042
[4-[4-(3-amino-6-pentylthieno[2,3-b]pyridine-2-carbonyl)phenyl]phenyl]-(3-amino-6-pentylthieno[2,3-b]pyridin-2-yl)methanone
CID 4085850
[4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23915434
1-[4-[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 5141239
1-[4-[4-(2-bromo-1,3-thiazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167757787

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 87048503) is 1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone is CCCc1ccc2c(N)c(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)sc2n1.
What is the InChIKey of 1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is OOPKCTPOEQXQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-3-4-17-7-10-19-20(24)21(30-22(19)25-17)23(29)27-13-11-26(12-14-27)18-8-5-16(6-9-18)15(2)28/h5-10H,3-4,11-14,24H2,1-2H3.
What are the key properties of 1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 422.55 g/mol, XLogP of 4.00, 5 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-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 87048503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).