1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

C22H25N5O2S — CID 160544179

IUPAC1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESNc1sc2cc(OC3CC3)cnc2c1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C22H25N5O2S/c23-14-2-1-7-27(12-14)17-5-6-25-10-13(17)8-18(28)20-21-19(30-22(20)24)9-16(11-26-21)29-15-3-4-15/h5-6,9-11,14-15H,1-4,7-8,12,23-24H2/t14-/m0/s1
InChIKeyQXEVEJSPHGEPNH-AWEZNQCLSA-N
MW423.54 g/mol
LogP3.17
Rot. Bonds6

About 1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone

1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 160544179) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
PubChem CID160544179
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
SMILESNc1sc2cc(OC3CC3)cnc2c1C(=O)Cc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C22H25N5O2S/c23-14-2-1-7-27(12-14)17-5-6-25-10-13(17)8-18(28)20-21-19(30-22(20)24)9-16(11-26-21)29-15-3-4-15/h5-6,9-11,14-15H,1-4,7-8,12,23-24H2/t14-/m0/s1
InChIKeyQXEVEJSPHGEPNH-AWEZNQCLSA-N
XLogP3.17
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

7-(4-Fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155515940
7-(4-Fluorophenyl)-2-[(6-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155551226
[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
7-(4-Fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155564600
2-[(6-Fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide
CID 155514808
7-(4-Fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155523578
US10000507, Example 18
CID 117901557
US10000507, Example 12
CID 117901755
US10000507, Example 14
CID 117902016
US10000507, Example 20
CID 117902061
7-(4-Fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155539957
1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474346

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone (CID 160544179) is 1-(2-amino-6-cyclopropyloxythieno[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-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is Nc1sc2cc(OC3CC3)cnc2c1C(=O)Cc1cnccc1N1CCC[C@H](N)C1.
What is the InChIKey of 1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is QXEVEJSPHGEPNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H25N5O2S/c23-14-2-1-7-27(12-14)17-5-6-25-10-13(17)8-18(28)20-21-19(30-22(20)24)9-16(11-26-21)29-15-3-4-15/h5-6,9-11,14-15H,1-4,7-8,12,23-24H2/t14-/m0/s1.
What are the key properties of 1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone?
1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 423.54 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-cyclopropyloxythieno[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 160544179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).