2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol

C38H24N10O4S2 — CID 164585094

IUPAC2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol
SMILESCOc1ccn2c(-c3nc(O)c4scc(-c5cccc(-c6cc(OC)cn7c(-c8nc(O)c9scc(-c%10ccccn%10)c9n8)ncc67)n5)c4n3)ncc2c1
InChIInChI=1S/C38H24N10O4S2/c1-51-20-9-11-47-19(12-20)14-40-35(47)33-44-30-24(18-54-32(30)38(50)45-33)27-8-5-7-26(42-27)22-13-21(52-2)16-48-28(22)15-41-36(48)34-43-29-23(25-6-3-4-10-39-25)17-53-31(29)37(49)46-34/h3-18H,1-2H3,(H,43,46,49)(H,44,45,50)
InChIKeyCZFANLMZLTZPTA-UHFFFAOYSA-N
MW748.81 g/mol
LogP7.54
Rot. Bonds7

About 2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol

2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol (PubChem CID 164585094) has the molecular formula C38H24N10O4S2 and a molecular weight of 748.81 g/mol. Its IUPAC name is 2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol.

Molecular Properties

Compound Name2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol
PubChem CID164585094
Molecular FormulaC38H24N10O4S2
Molecular Weight748.81 g/mol
Exact Mass748.14
IUPAC Name2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol
SMILESCOc1ccn2c(-c3nc(O)c4scc(-c5cccc(-c6cc(OC)cn7c(-c8nc(O)c9scc(-c%10ccccn%10)c9n8)ncc67)n5)c4n3)ncc2c1
InChIInChI=1S/C38H24N10O4S2/c1-51-20-9-11-47-19(12-20)14-40-35(47)33-44-30-24(18-54-32(30)38(50)45-33)27-8-5-7-26(42-27)22-13-21(52-2)16-48-28(22)15-41-36(48)34-43-29-23(25-6-3-4-10-39-25)17-53-31(29)37(49)46-34/h3-18H,1-2H3,(H,43,46,49)(H,44,45,50)
InChIKeyCZFANLMZLTZPTA-UHFFFAOYSA-N
XLogP7.54
TPSA170.86 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500748.81
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol?
The IUPAC name of 2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol (CID 164585094) is 2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-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-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol?
The canonical SMILES for 2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol is COc1ccn2c(-c3nc(O)c4scc(-c5cccc(-c6cc(OC)cn7c(-c8nc(O)c9scc(-c%10ccccn%10)c9n8)ncc67)n5)c4n3)ncc2c1.
What is the InChIKey of 2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol?
The InChIKey is CZFANLMZLTZPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N10O4S2/c1-51-20-9-11-47-19(12-20)14-40-35(47)33-44-30-24(18-54-32(30)38(50)45-33)27-8-5-7-26(42-27)22-13-21(52-2)16-48-28(22)15-41-36(48)34-43-29-23(25-6-3-4-10-39-25)17-53-31(29)37(49)46-34/h3-18H,1-2H3,(H,43,46,49)(H,44,45,50).
What are the key properties of 2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol?
2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol has a molecular weight of 748.81 g/mol, XLogP of 7.54, 7 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[6-[4-hydroxy-2-(7-methoxyimidazo[1,5-a]pyridin-3-yl)thieno[3,2-d]pyrimidin-7-yl]-2-pyridinyl]-6-methoxyimidazo[1,5-a]pyridin-3-yl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-4-ol is sourced from PubChem (CID 164585094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).