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

C21H23N3O2S — CID 23744160

IUPAC[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)N4CCCC(C)C4)sc3n2)cc1
InChIInChI=1S/C21H23N3O2S/c1-13-4-3-11-24(12-13)21(25)19-18(22)16-9-10-17(23-20(16)27-19)14-5-7-15(26-2)8-6-14/h5-10,13H,3-4,11-12,22H2,1-2H3
InChIKeyHTQZHQVQTWNIGA-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.43
Rot. Bonds3

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

[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 23744160) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID23744160
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)N4CCCC(C)C4)sc3n2)cc1
InChIInChI=1S/C21H23N3O2S/c1-13-4-3-11-24(12-13)21(25)19-18(22)16-9-10-17(23-20(16)27-19)14-5-7-15(26-2)8-6-14/h5-10,13H,3-4,11-12,22H2,1-2H3
InChIKeyHTQZHQVQTWNIGA-UHFFFAOYSA-N
XLogP4.43
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 7383462
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 23831223
(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 80518435
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23971348
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
CID 1004090
4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295412
3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753
[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 1094047
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1005120
(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23859628
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
CID 865126

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 23744160) is [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone is COc1ccc(-c2ccc3c(N)c(C(=O)N4CCCC(C)C4)sc3n2)cc1.
What is the InChIKey of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is HTQZHQVQTWNIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-13-4-3-11-24(12-13)21(25)19-18(22)16-9-10-17(23-20(16)27-19)14-5-7-15(26-2)8-6-14/h5-10,13H,3-4,11-12,22H2,1-2H3.
What are the key properties of [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone?
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 381.50 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 23744160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).