2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol

C38H25N10O4S2+ — CID 164585248

IUPAC2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol
SMILESCOc1ccn2c(-c3nc(O)c4scc(-c5cccc[n+]5-c5nc(-c6nc(O)c7scc(-c8ccccn8)c7n6)n6cc(OC)ccc56)c4n3)ncc2c1
InChIInChI=1S/C38H24N10O4S2/c1-51-21-11-14-46-20(15-21)16-40-35(46)32-42-29-24(19-54-31(29)38(50)43-32)26-8-4-6-13-47(26)34-27-10-9-22(52-2)17-48(27)36(45-34)33-41-28-23(25-7-3-5-12-39-25)18-53-30(28)37(49)44-33/h3-19H,1-2H3,(H-,41,42,43,44,49,50)/p+1
InChIKeyGFGYTPBYUIGGQV-UHFFFAOYSA-O
MW749.82 g/mol
LogP6.76
Rot. Bonds7

About 2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol

2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol (PubChem CID 164585248) has the molecular formula C38H25N10O4S2+ and a molecular weight of 749.82 g/mol. Its IUPAC name is 2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol.

Molecular Properties

Compound Name2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol
PubChem CID164585248
Molecular FormulaC38H25N10O4S2+
Molecular Weight749.82 g/mol
Exact Mass749.15
IUPAC Name2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol
SMILESCOc1ccn2c(-c3nc(O)c4scc(-c5cccc[n+]5-c5nc(-c6nc(O)c7scc(-c8ccccn8)c7n6)n6cc(OC)ccc56)c4n3)ncc2c1
InChIInChI=1S/C38H24N10O4S2/c1-51-21-11-14-46-20(15-21)16-40-35(46)32-42-29-24(19-54-31(29)38(50)43-32)26-8-4-6-13-47(26)34-27-10-9-22(52-2)17-48(27)36(45-34)33-41-28-23(25-7-3-5-12-39-25)18-53-30(28)37(49)44-33/h3-19H,1-2H3,(H-,41,42,43,44,49,50)/p+1
InChIKeyGFGYTPBYUIGGQV-UHFFFAOYSA-O
XLogP6.76
TPSA161.85 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500749.82
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol with MolForge

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Related Compounds

N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428074
6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;4-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[2,3-c]pyridine;2-[3-ethylsulfanyl-5-(2-methylprop-2-enoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol;5-ethylsulfanyl-4-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol;5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;methane;2-methylprop-2-en-1-ol
CID 159258684
{1-[2-(8-Benzyloxyimidazo[1,2-a]pyridin-5-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl]piperidin-4-yl}dimethylamine
CID 59605648
2-(5-Methoxy-3-pyridinyl)-4,7-dimethyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137019691
2-(5,6-Dimethoxy-3-pyridinyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137024821
2-(5,6-Dimethoxy-3-pyridinyl)-7-methyl-6-(2-methylsulfanyl-1,3-thiazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137148135
2-[4-[4-[7-(2-Chlorophenyl)-4-hydroxy-2-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-6-yl]phenyl]-1-methylimidazol-2-yl]-7-(6-methoxy-3-pyridinyl)-6-phenylthieno[3,2-d]pyrimidin-4-ol
CID 142506665
7-Fluoro-2-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-ol;2-(5-fluoro-6-methoxy-3-pyridinyl)-6-methoxyimidazo[1,2-a]pyridine;7-fluoro-2-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyridin-6-ol
CID 157850472
8-Benzyl-6-(4-hydroxyphenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-[(4-methylphenyl)methyl]-6-pyridin-2-ylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-[(4-methylphenyl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-3-ol
CID 157965641
2,5-Di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;2-methoxy-3,6-di(propan-2-yl)pyridine;3-methoxy-2,5-di(propan-2-yl)pyridine;4-methyl-2,5-di(propan-2-yl)pyridine
CID 159482826
7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 162092243
4-N-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-[(2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 163899335

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol?
The IUPAC name of 2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol (CID 164585248) is 2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol.
What is the SMILES notation for 2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol?
The canonical SMILES for 2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol is COc1ccn2c(-c3nc(O)c4scc(-c5cccc[n+]5-c5nc(-c6nc(O)c7scc(-c8ccccn8)c7n6)n6cc(OC)ccc56)c4n3)ncc2c1.
What is the InChIKey of 2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol?
The InChIKey is GFGYTPBYUIGGQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C38H24N10O4S2/c1-51-21-11-14-46-20(15-21)16-40-35(46)32-42-29-24(19-54-31(29)38(50)43-32)26-8-4-6-13-47(26)34-27-10-9-22(52-2)17-48(27)36(45-34)33-41-28-23(25-7-3-5-12-39-25)18-53-30(28)37(49)44-33/h3-19H,1-2H3,(H-,41,42,43,44,49,50)/p+1.
What are the key properties of 2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol?
2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol has a molecular weight of 749.82 g/mol, XLogP of 6.76, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]pyridin-1-ium-1-yl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol is sourced from PubChem (CID 164585248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).