(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C20H22N4O2S — CID 23859628

IUPAC(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3sc4nc(C)ccc4c3N)CC2)cc1
InChIInChI=1S/C20H22N4O2S/c1-13-3-8-16-17(21)18(27-19(16)22-13)20(25)24-11-9-23(10-12-24)14-4-6-15(26-2)7-5-14/h3-8H,9-12,21H2,1-2H3
InChIKeyHDRIWXZPGGJVST-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.16
Rot. Bonds3

About (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 23859628) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID23859628
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3sc4nc(C)ccc4c3N)CC2)cc1
InChIInChI=1S/C20H22N4O2S/c1-13-3-8-16-17(21)18(27-19(16)22-13)20(25)24-11-9-23(10-12-24)14-4-6-15(26-2)7-5-14/h3-8H,9-12,21H2,1-2H3
InChIKeyHDRIWXZPGGJVST-UHFFFAOYSA-N
XLogP3.16
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23971348
(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23999169
1-[4-[4-(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87048503
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277
methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
1-[4-[4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 87048518
(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 22512644
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 23831223
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
CID 865126
1-[4-[4-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87048490
(1,5-dimethylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51310306

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 23859628) is (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3sc4nc(C)ccc4c3N)CC2)cc1.
What is the InChIKey of (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is HDRIWXZPGGJVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13-3-8-16-17(21)18(27-19(16)22-13)20(25)24-11-9-23(10-12-24)14-4-6-15(26-2)7-5-14/h3-8H,9-12,21H2,1-2H3.
What are the key properties of (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 382.49 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 23859628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).