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

C46H35ClN10O2S2 — CID 142506956

About 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

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 (PubChem CID 142506956) has the molecular formula C46H35ClN10O2S2 and a molecular weight of 859.44 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 142506956
• Molecular Formula: C46H35ClN10O2S2
• Molecular Weight: 859.44 g/mol
• Exact Mass: 858.21
• IUPAC Name: 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
• SMILES: COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccnc(-c4ccc(-c5c(-c6ccccc6)sc6c(O)nc(-c7nccn7C)nc56)c(Cl)c4)c3)c12
• InChI: InChI=1S/C46H35ClN10O2S2/c1-56-21-18-50-43(56)41-52-36-34(38(27-12-8-5-9-13-27)60-39(36)45(58)54-41)30-15-14-28(24-31(30)47)32-25-29(16-17-48-32)33-35-40(49-20-23-59-3)53-42(44-51-19-22-57(44)2)55-46(35)61-37(33)26-10-6-4-7-11-26/h4-19,21-22,24-25H,20,23H2,1-3H3,(H,49,53,55)(H,52,54,58)
• InChIKey: GFKHHFCWKOLQMN-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 141.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	859.44
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccnc(-c4ccc(-c5c(-c6ccccc6)sc6c(O)nc(-c7nccn7C)nc56)c(Cl)c4)c3)c12.

What is the InChIKey of 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?

The InChIKey is GFKHHFCWKOLQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35ClN10O2S2/c1-56-21-18-50-43(56)41-52-36-34(38(27-12-8-5-9-13-27)60-39(36)45(58)54-41)30-15-14-28(24-31(30)47)32-25-29(16-17-48-32)33-35-40(49-20-23-59-3)53-42(44-51-19-22-57(44)2)55-46(35)61-37(33)26-10-6-4-7-11-26/h4-19,21-22,24-25H,20,23H2,1-3H3,(H,49,53,55)(H,52,54,58).

What are the key properties of 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?

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 has a molecular weight of 859.44 g/mol, XLogP of 10.64, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 142506956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).