6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one)

C135H96ClN23O8S7 — CID 160655741

IUPAC6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one)
SMILESCC(C)COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)cc1.Cc1cccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)c1.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccc(-c4ccccc4)cc3)sc12.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccccc3)sc12.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccccc3)sc12.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccccc3Cl)sc12
InChIInChI=1S/C25H23N5O2S.C23H15N3OS.2C18H13N3OS.C17H10ClN3OS.2C17H11N3OS/c1-15(2)14-32-18-10-9-17(13-27-18)19-20-22(33-21(19)16-7-5-4-6-8-16)25(31)29-23(28-20)24-26-11-12-30(24)3;27-23-21-19(25-22(26-23)18-8-4-5-13-24-18)14-20(28-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15;1-11-5-4-6-12(9-11)15-10-14-16(23-15)18(22)21-17(20-14)13-7-2-3-8-19-13;1-11-5-7-12(8-6-11)15-10-14-16(23-15)18(22)21-17(20-14)13-4-2-3-9-19-13;18-11-6-2-1-5-10(11)14-9-13-15(23-14)17(22)21-16(20-13)12-7-3-4-8-19-12;2*21-17-15-13(10-14(22-15)11-6-2-1-3-7-11)19-16(20-17)12-8-4-5-9-18-12/h4-13,15H,14H2,1-3H3,(H,28,29,31);1-14H,(H,25,26,27);2*2-10H,1H3,(H,20,21,22);1-9H,(H,20,21,22);2*1-10H,(H,19,20,21)
InChIKeyRLAGCQPLIRXCEX-UHFFFAOYSA-N
MW2428.33 g/mol
LogP30.37
Rot. Bonds19

About 6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one)

6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one) (PubChem CID 160655741) has the molecular formula C135H96ClN23O8S7 and a molecular weight of 2428.33 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one).

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one)
PubChem CID160655741
Molecular FormulaC135H96ClN23O8S7
Molecular Weight2428.33 g/mol
Exact Mass2425.55
IUPAC Name6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one)
SMILESCC(C)COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)cc1.Cc1cccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)c1.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccc(-c4ccccc4)cc3)sc12.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccccc3)sc12.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccccc3)sc12.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccccc3Cl)sc12
InChIInChI=1S/C25H23N5O2S.C23H15N3OS.2C18H13N3OS.C17H10ClN3OS.2C17H11N3OS/c1-15(2)14-32-18-10-9-17(13-27-18)19-20-22(33-21(19)16-7-5-4-6-8-16)25(31)29-23(28-20)24-26-11-12-30(24)3;27-23-21-19(25-22(26-23)18-8-4-5-13-24-18)14-20(28-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15;1-11-5-4-6-12(9-11)15-10-14-16(23-15)18(22)21-17(20-14)13-7-2-3-8-19-13;1-11-5-7-12(8-6-11)15-10-14-16(23-15)18(22)21-17(20-14)13-4-2-3-9-19-13;18-11-6-2-1-5-10(11)14-9-13-15(23-14)17(22)21-16(20-13)12-7-3-4-8-19-12;2*21-17-15-13(10-14(22-15)11-6-2-1-3-7-11)19-16(20-17)12-8-4-5-9-18-12/h4-13,15H,14H2,1-3H3,(H,28,29,31);1-14H,(H,25,26,27);2*2-10H,1H3,(H,20,21,22);1-9H,(H,20,21,22);2*1-10H,(H,19,20,21)
InChIKeyRLAGCQPLIRXCEX-UHFFFAOYSA-N
XLogP30.37
TPSA437.53 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002428.33
LogP ≤ 530.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one)?
The IUPAC name of 6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one) (CID 160655741) is 6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one).
What is the SMILES notation for 6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one)?
The canonical SMILES for 6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one) is CC(C)COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cc1ccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)cc1.Cc1cccc(-c2cc3nc(-c4ccccn4)[nH]c(=O)c3s2)c1.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccc(-c4ccccc4)cc3)sc12.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccccc3)sc12.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccccc3)sc12.O=c1[nH]c(-c2ccccn2)nc2cc(-c3ccccc3Cl)sc12.
What is the InChIKey of 6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one)?
The InChIKey is RLAGCQPLIRXCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S.C23H15N3OS.2C18H13N3OS.C17H10ClN3OS.2C17H11N3OS/c1-15(2)14-32-18-10-9-17(13-27-18)19-20-22(33-21(19)16-7-5-4-6-8-16)25(31)29-23(28-20)24-26-11-12-30(24)3;27-23-21-19(25-22(26-23)18-8-4-5-13-24-18)14-20(28-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15;1-11-5-4-6-12(9-11)15-10-14-16(23-15)18(22)21-17(20-14)13-7-2-3-8-19-13;1-11-5-7-12(8-6-11)15-10-14-16(23-15)18(22)21-17(20-14)13-4-2-3-9-19-13;18-11-6-2-1-5-10(11)14-9-13-15(23-14)17(22)21-16(20-13)12-7-3-4-8-19-12;2*21-17-15-13(10-14(22-15)11-6-2-1-3-7-11)19-16(20-17)12-8-4-5-9-18-12/h4-13,15H,14H2,1-3H3,(H,28,29,31);1-14H,(H,25,26,27);2*2-10H,1H3,(H,20,21,22);1-9H,(H,20,21,22);2*1-10H,(H,19,20,21).
What are the key properties of 6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one)?
6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one) has a molecular weight of 2428.33 g/mol, XLogP of 30.37, 19 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-(4-phenylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one) is sourced from PubChem (CID 160655741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).