7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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

C69H55ClN14O5S3 — CID 159024009

IUPAC7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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
SMILESCC(C)COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cn1ccnc1-c1nc2c(-c3ccccc3Cl)c(-c3ccccc3)sc2c(=O)[nH]1
InChIInChI=1S/C25H23N5O2S.C22H15ClN4OS.C22H17N5O2S/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;1-27-12-11-24-21(27)20-25-17-16(14-9-5-6-10-15(14)23)18(13-7-3-2-4-8-13)29-19(17)22(28)26-20;1-27-11-10-23-21(27)20-25-17-16(14-8-9-15(29-2)24-12-14)18(13-6-4-3-5-7-13)30-19(17)22(28)26-20/h4-13,15H,14H2,1-3H3,(H,28,29,31);2-12H,1H3,(H,25,26,28);3-12H,1-2H3,(H,25,26,28)
InChIKeyJUBIFABIHWWODM-UHFFFAOYSA-N
MW1291.95 g/mol
LogP14.64
Rot. Bonds13

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

7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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 (PubChem CID 159024009) has the molecular formula C69H55ClN14O5S3 and a molecular weight of 1291.95 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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.

Molecular Properties

Compound Name7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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
PubChem CID159024009
Molecular FormulaC69H55ClN14O5S3
Molecular Weight1291.95 g/mol
Exact Mass1290.33
IUPAC Name7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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
SMILESCC(C)COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cn1ccnc1-c1nc2c(-c3ccccc3Cl)c(-c3ccccc3)sc2c(=O)[nH]1
InChIInChI=1S/C25H23N5O2S.C22H15ClN4OS.C22H17N5O2S/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;1-27-12-11-24-21(27)20-25-17-16(14-9-5-6-10-15(14)23)18(13-7-3-2-4-8-13)29-19(17)22(28)26-20;1-27-11-10-23-21(27)20-25-17-16(14-8-9-15(29-2)24-12-14)18(13-6-4-3-5-7-13)30-19(17)22(28)26-20/h4-13,15H,14H2,1-3H3,(H,28,29,31);2-12H,1H3,(H,25,26,28);3-12H,1-2H3,(H,25,26,28)
InChIKeyJUBIFABIHWWODM-UHFFFAOYSA-N
XLogP14.64
TPSA234.95 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001291.95
LogP ≤ 514.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

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

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Related Compounds

7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 161234040
7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyrimidin-4-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 161269075
7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6-phenyl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 161385593
7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(methoxymethyl)-3-methylphenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(trifluoromethyl)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 161488082
2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429331
7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429335
6-methyl-2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429371
2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429479
7-[6-(2-methylpropoxy)-3-pyridinyl]-2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 153620637
2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-6-phenyl-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-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 157429711
ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
CID 158019735
7-(2-chlorophenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-fluoro-4-(methoxymethyl)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;methane;bis(2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one);2-(1-methylimidazol-2-yl)-7-[4-(2-methylpropoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-(1-methylimidazol-2-yl)-7-(3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylphenyl)-2-pyrimidin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 158145808

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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?
The IUPAC name of 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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 (CID 159024009) is 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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.
What is the SMILES notation for 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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?
The canonical SMILES for 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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 is CC(C)COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cn1ccnc1-c1nc2c(-c3ccccc3Cl)c(-c3ccccc3)sc2c(=O)[nH]1.
What is the InChIKey of 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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?
The InChIKey is JUBIFABIHWWODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S.C22H15ClN4OS.C22H17N5O2S/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;1-27-12-11-24-21(27)20-25-17-16(14-9-5-6-10-15(14)23)18(13-7-3-2-4-8-13)29-19(17)22(28)26-20;1-27-11-10-23-21(27)20-25-17-16(14-8-9-15(29-2)24-12-14)18(13-6-4-3-5-7-13)30-19(17)22(28)26-20/h4-13,15H,14H2,1-3H3,(H,28,29,31);2-12H,1H3,(H,25,26,28);3-12H,1-2H3,(H,25,26,28).
What are the key properties of 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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?
7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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 has a molecular weight of 1291.95 g/mol, XLogP of 14.64, 13 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-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 is sourced from PubChem (CID 159024009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).