1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

C20H23N5O2S — CID 157285022

IUPAC1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCOc1ccnc2c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)c(N)sc12
InChIInChI=1S/C20H23N5O2S/c1-27-16-5-7-24-18-17(20(22)28-19(16)18)15(26)9-12-10-23-6-4-14(12)25-8-2-3-13(21)11-25/h4-7,10,13H,2-3,8-9,11,21-22H2,1H3/t13-/m0/s1
InChIKeyBACVWPXVSFDEGE-ZDUSSCGKSA-N
MW397.50 g/mol
LogP2.63
Rot. Bonds5

About 1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 157285022) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID157285022
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCOc1ccnc2c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)c(N)sc12
InChIInChI=1S/C20H23N5O2S/c1-27-16-5-7-24-18-17(20(22)28-19(16)18)15(26)9-12-10-23-6-4-14(12)25-8-2-3-13(21)11-25/h4-7,10,13H,2-3,8-9,11,21-22H2,1H3/t13-/m0/s1
InChIKeyBACVWPXVSFDEGE-ZDUSSCGKSA-N
XLogP2.63
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 137653452
3-amino-N-(4-methoxyphenyl)-6-(3-pyridinyl)-2-thieno[2,3-b]pyridinecarboxamide
CID 3518029
US9822124, Example 57
CID 118644368
3-amino-4-methoxy-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155543978
US10000507, Example 34
CID 117901194
US10000507, Example 16
CID 117901541
US10000507, Example 18
CID 117901557
US10000507, Example 12
CID 117901755
US10000507, Example 28
CID 117901940
US10000507, Example 14
CID 117902016
US10000507, Example 20
CID 117902061
US9822124, Example 55
CID 118644343

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (CID 157285022) is 1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is COc1ccnc2c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)c(N)sc12.
What is the InChIKey of 1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is BACVWPXVSFDEGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-27-16-5-7-24-18-17(20(22)28-19(16)18)15(26)9-12-10-23-6-4-14(12)25-8-2-3-13(21)11-25/h4-7,10,13H,2-3,8-9,11,21-22H2,1H3/t13-/m0/s1.
What are the key properties of 1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 397.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-7-methoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 157285022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).