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

C44H30ClN9O3S2 — CID 142506665

IUPAC2-[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
SMILESCOc1ccc(-c2c(-c3ccccc3)sc3c(O)nc(-c4nc(-c5ccc(-c6sc7c(O)nc(-c8nccn8C)nc7c6-c6ccccc6Cl)cc5)cn4C)nc23)cn1
InChIInChI=1S/C44H30ClN9O3S2/c1-53-20-19-46-41(53)39-50-34-32(27-11-7-8-12-28(27)45)36(59-38(34)44(56)51-39)25-15-13-23(14-16-25)29-22-54(2)42(48-29)40-49-33-31(26-17-18-30(57-3)47-21-26)35(24-9-5-4-6-10-24)58-37(33)43(55)52-40/h4-22H,1-3H3,(H,49,52,55)(H,50,51,56)
InChIKeyKPUOMJATXKXCEA-UHFFFAOYSA-N
MW832.37 g/mol
LogP10.30
Rot. Bonds8

About 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

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 (PubChem CID 142506665) has the molecular formula C44H30ClN9O3S2 and a molecular weight of 832.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID142506665
Molecular FormulaC44H30ClN9O3S2
Molecular Weight832.37 g/mol
Exact Mass831.16
IUPAC Name2-[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
SMILESCOc1ccc(-c2c(-c3ccccc3)sc3c(O)nc(-c4nc(-c5ccc(-c6sc7c(O)nc(-c8nccn8C)nc7c6-c6ccccc6Cl)cc5)cn4C)nc23)cn1
InChIInChI=1S/C44H30ClN9O3S2/c1-53-20-19-46-41(53)39-50-34-32(27-11-7-8-12-28(27)45)36(59-38(34)44(56)51-39)25-15-13-23(14-16-25)29-22-54(2)42(48-29)40-49-33-31(26-17-18-30(57-3)47-21-26)35(24-9-5-4-6-10-24)58-37(33)43(55)52-40/h4-22H,1-3H3,(H,49,52,55)(H,50,51,56)
InChIKeyKPUOMJATXKXCEA-UHFFFAOYSA-N
XLogP10.30
TPSA149.78 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.37
LogP ≤ 510.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

2-Amino-7-[2-chloro-5-(7-phenyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]thieno[3,2-d]pyrimidin-4-ol
CID 137213592
2-[5-[2-Amino-6-(4-hydroxy-2-pyridin-2-ylthieno[3,2-d]pyrimidin-7-yl)-4-pyridinyl]-2-pyridinyl]-7-(2-chlorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-ol
CID 142506688
7-[2-Chloro-4-[4-[4-(2-methoxyethylamino)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-5-yl]-2-pyridinyl]phenyl]-2-(1-methylimidazol-2-yl)-6-phenylthieno[3,2-d]pyrimidin-4-ol
CID 142506956
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2c(-c3ccccc3)sc3c(O)nc(-c4nc(-c5ccc(-c6sc7c(O)nc(-c8nccn8C)nc7c6-c6ccccc6Cl)cc5)cn4C)nc23)cn1.
What is the InChIKey of 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?
The InChIKey is KPUOMJATXKXCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30ClN9O3S2/c1-53-20-19-46-41(53)39-50-34-32(27-11-7-8-12-28(27)45)36(59-38(34)44(56)51-39)25-15-13-23(14-16-25)29-22-54(2)42(48-29)40-49-33-31(26-17-18-30(57-3)47-21-26)35(24-9-5-4-6-10-24)58-37(33)43(55)52-40/h4-22H,1-3H3,(H,49,52,55)(H,50,51,56).
What are the key properties of 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?
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 has a molecular weight of 832.37 g/mol, XLogP of 10.30, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142506665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).