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

C21H25N5O2S — CID 162264447

IUPAC1-(2-amino-7-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCCOc1ccnc2c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)c(N)sc12
InChIInChI=1S/C21H25N5O2S/c1-2-28-17-6-8-25-19-18(21(23)29-20(17)19)16(27)10-13-11-24-7-5-15(13)26-9-3-4-14(22)12-26/h5-8,11,14H,2-4,9-10,12,22-23H2,1H3/t14-/m0/s1
InChIKeyZZRYZAIWRJOUDN-AWEZNQCLSA-N
MW411.53 g/mol
LogP3.03
Rot. Bonds6

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

1-(2-amino-7-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 162264447) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-(2-amino-7-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2-amino-7-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID162264447
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name1-(2-amino-7-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESCCOc1ccnc2c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)c(N)sc12
InChIInChI=1S/C21H25N5O2S/c1-2-28-17-6-8-25-19-18(21(23)29-20(17)19)16(27)10-13-11-24-7-5-15(13)26-9-3-4-14(22)12-26/h5-8,11,14H,2-4,9-10,12,22-23H2,1H3/t14-/m0/s1
InChIKeyZZRYZAIWRJOUDN-AWEZNQCLSA-N
XLogP3.03
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(2-amino-7-ethoxythieno[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

[3-Amino-8-(pyridin-4-ylmethoxy)-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraen-4-yl]-pyridin-4-ylmethanone
CID 155543990
[3-Amino-8-(2-morpholin-4-ylethoxy)-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraen-4-yl]-pyridin-4-ylmethanone
CID 155553146
3-Amino-4-[4-[3-(dimethylamino)-3-oxopropyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide
CID 25004904
3-Amino-4-[4-[4-(dimethylamino)-4-oxobutyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide
CID 25004905
3-Amino-4-[4-[2-(dimethylamino)ethyl]phenoxy]thieno[2,3-b]pyridine-2-carboxamide
CID 140118384
US10000507, Example 34
CID 117901194
US10000507, Example 16
CID 117901541
US10000507, Example 18
CID 117901557
US10000507, Example 12
CID 117901755
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-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-(2-amino-7-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (CID 162264447) is 1-(2-amino-7-ethoxythieno[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-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-(2-amino-7-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is CCOc1ccnc2c(C(=O)Cc3cnccc3N3CCC[C@H](N)C3)c(N)sc12.
What is the InChIKey of 1-(2-amino-7-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is ZZRYZAIWRJOUDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-2-28-17-6-8-25-19-18(21(23)29-20(17)19)16(27)10-13-11-24-7-5-15(13)26-9-3-4-14(22)12-26/h5-8,11,14H,2-4,9-10,12,22-23H2,1H3/t14-/m0/s1.
What are the key properties of 1-(2-amino-7-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
1-(2-amino-7-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 411.53 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-7-ethoxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 162264447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).