2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine

C23H25N5S2 — CID 142485771

IUPAC2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
SMILESCCCCSc1sc2nc(-c3cccnc3)cc(-c3cnc(C4CC4)n3C)c2c1N
InChIInChI=1S/C23H25N5S2/c1-3-4-10-29-23-20(24)19-16(18-13-26-21(28(18)2)14-7-8-14)11-17(27-22(19)30-23)15-6-5-9-25-12-15/h5-6,9,11-14H,3-4,7-8,10,24H2,1-2H3
InChIKeyAEZLJLKRBBZSOC-UHFFFAOYSA-N
MW435.62 g/mol
LogP6.11
Rot. Bonds7

About 2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine

2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 142485771) has the molecular formula C23H25N5S2 and a molecular weight of 435.62 g/mol. Its IUPAC name is 2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
PubChem CID142485771
Molecular FormulaC23H25N5S2
Molecular Weight435.62 g/mol
Exact Mass435.16
IUPAC Name2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
SMILESCCCCSc1sc2nc(-c3cccnc3)cc(-c3cnc(C4CC4)n3C)c2c1N
InChIInChI=1S/C23H25N5S2/c1-3-4-10-29-23-20(24)19-16(18-13-26-21(28(18)2)14-7-8-14)11-17(27-22(19)30-23)15-6-5-9-25-12-15/h5-6,9,11-14H,3-4,7-8,10,24H2,1-2H3
InChIKeyAEZLJLKRBBZSOC-UHFFFAOYSA-N
XLogP6.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.62
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine with MolForge

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Related Compounds

6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
CID 142485827
2-(4-chlorobutylsulfanyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 142367156
6-(2-aminopyrimidin-5-yl)-2-butylsulfanyl-N-methyl-4-phenylthieno[2,3-b]pyridin-3-amine
CID 142485810
2-butylsulfanyl-4-(1-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 170737991
2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(3-fluoro-2-pyridinyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(2,3-dimethylimidazol-4-yl)-6-pyrimidin-5-ylthieno[2,3-b]pyridin-3-amine
CID 161328205
3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol
CID 142485765
4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;ethane
CID 142485751
4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059043
2-[4-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol
CID 145170887
3-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-prop-2-enylbenzamide
CID 142485815
2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]acetic acid;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;methyl 2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]acetate
CID 160888316
6-butylsulfanyl-4-(2,3-dimethylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 142485844

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine (CID 142485771) is 2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine is CCCCSc1sc2nc(-c3cccnc3)cc(-c3cnc(C4CC4)n3C)c2c1N.
What is the InChIKey of 2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?
The InChIKey is AEZLJLKRBBZSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5S2/c1-3-4-10-29-23-20(24)19-16(18-13-26-21(28(18)2)14-7-8-14)11-17(27-22(19)30-23)15-6-5-9-25-12-15/h5-6,9,11-14H,3-4,7-8,10,24H2,1-2H3.
What are the key properties of 2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?
2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 435.62 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 142485771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).