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

C21H24N4O3S — CID 23831223

IUPAC[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)N4CCN(CCO)CC4)sc3n2)cc1
InChIInChI=1S/C21H24N4O3S/c1-28-15-4-2-14(3-5-15)17-7-6-16-18(22)19(29-20(16)23-17)21(27)25-10-8-24(9-11-25)12-13-26/h2-7,26H,8-13,22H2,1H3
InChIKeyZBCRVSFWPHTKQA-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.30
Rot. Bonds5

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

[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 23831223) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID23831223
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)N4CCN(CCO)CC4)sc3n2)cc1
InChIInChI=1S/C21H24N4O3S/c1-28-15-4-2-14(3-5-15)17-7-6-16-18(22)19(29-20(16)23-17)21(27)25-10-8-24(9-11-25)12-13-26/h2-7,26H,8-13,22H2,1H3
InChIKeyZBCRVSFWPHTKQA-UHFFFAOYSA-N
XLogP2.30
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 23744160
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390
(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23859628
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
CID 1004090
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 23943369
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 78860001
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1147313
2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 21233658
3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753
3-amino-6-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004083
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1005120

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 23831223) is [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is COc1ccc(-c2ccc3c(N)c(C(=O)N4CCN(CCO)CC4)sc3n2)cc1.
What is the InChIKey of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is ZBCRVSFWPHTKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-28-15-4-2-14(3-5-15)17-7-6-16-18(22)19(29-20(16)23-17)21(27)25-10-8-24(9-11-25)12-13-26/h2-7,26H,8-13,22H2,1H3.
What are the key properties of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 412.52 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 23831223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).