6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine

C22H22N4OS2 — CID 142485859

IUPAC6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCCCC[S@](=O)c1sc2nc(-c3ccc(N)nc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C22H22N4OS2/c1-2-3-11-29(27)22-20(24)19-16(14-7-5-4-6-8-14)12-17(26-21(19)28-22)15-9-10-18(23)25-13-15/h4-10,12-13H,2-3,11,24H2,1H3,(H2,23,25)/t29-/m0/s1
InChIKeyPCFWZAFETYCGST-LJAQVGFWSA-N
MW422.58 g/mol
LogP5.10
Rot. Bonds6

About 6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine

6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine (PubChem CID 142485859) has the molecular formula C22H22N4OS2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
PubChem CID142485859
Molecular FormulaC22H22N4OS2
Molecular Weight422.58 g/mol
Exact Mass422.12
IUPAC Name6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCCCC[S@](=O)c1sc2nc(-c3ccc(N)nc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C22H22N4OS2/c1-2-3-11-29(27)22-20(24)19-16(14-7-5-4-6-8-14)12-17(26-21(19)28-22)15-9-10-18(23)25-13-15/h4-10,12-13H,2-3,11,24H2,1H3,(H2,23,25)/t29-/m0/s1
InChIKeyPCFWZAFETYCGST-LJAQVGFWSA-N
XLogP5.10
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.58
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485864
2-octylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 3337992
4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol
CID 118050770
6-butylsulfinyl-3-phenylthieno[2,3-b]pyrazin-7-amine
CID 135387523
6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 159548372
3-(3-amino-2-butylsulfinyl-6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)benzonitrile
CID 142485898
4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzaldehyde
CID 118059105
6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine
CID 90051604
2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 157257517
2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol
CID 118059010
6-butylsulfinyl-2-phenylthieno[2,3-b]pyrazin-7-amine
CID 176898306
4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate
CID 118050655

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine (CID 142485859) is 6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine is CCCC[S@](=O)c1sc2nc(-c3ccc(N)nc3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine?
The InChIKey is PCFWZAFETYCGST-LJAQVGFWSA-N. The full InChI is InChI=1S/C22H22N4OS2/c1-2-3-11-29(27)22-20(24)19-16(14-7-5-4-6-8-14)12-17(26-21(19)28-22)15-9-10-18(23)25-13-15/h4-10,12-13H,2-3,11,24H2,1H3,(H2,23,25)/t29-/m0/s1.
What are the key properties of 6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine?
6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine has a molecular weight of 422.58 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 142485859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).