7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C60H45FN14O5S3 — CID 162033758

IUPAC7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c(F)c1.Cn1nnc2ccc(-c3csc4c(=O)[nH]c(-c5ccccn5)nc34)cc21.O=c1[nH]c(-c2ccccn2)nc2c(-c3ccc4c(c3)CCO4)csc12
InChIInChI=1S/C23H20FN5O2S.C19H13N3O2S.C18H12N6OS/c1-14-5-6-18(16(24)12-14)28-8-10-29(11-9-28)23(31)15-13-32-20-19(15)26-21(27-22(20)30)17-4-2-3-7-25-17;23-19-17-16(21-18(22-19)14-3-1-2-7-20-14)13(10-25-17)11-4-5-15-12(9-11)6-8-24-15;1-24-14-8-10(5-6-12(14)22-23-24)11-9-26-16-15(11)20-17(21-18(16)25)13-4-2-3-7-19-13/h2-7,12-13H,8-11H2,1H3,(H,26,27,30);1-5,7,9-10H,6,8H2,(H,21,22,23);2-9H,1H3,(H,20,21,25)
InChIKeyYWJJRMKCGNAHLQ-UHFFFAOYSA-N
MW1157.31 g/mol
LogP10.10
Rot. Bonds7

About 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 162033758) has the molecular formula C60H45FN14O5S3 and a molecular weight of 1157.31 g/mol. Its IUPAC name is 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID162033758
Molecular FormulaC60H45FN14O5S3
Molecular Weight1157.31 g/mol
Exact Mass1156.28
IUPAC Name7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c(F)c1.Cn1nnc2ccc(-c3csc4c(=O)[nH]c(-c5ccccn5)nc34)cc21.O=c1[nH]c(-c2ccccn2)nc2c(-c3ccc4c(c3)CCO4)csc12
InChIInChI=1S/C23H20FN5O2S.C19H13N3O2S.C18H12N6OS/c1-14-5-6-18(16(24)12-14)28-8-10-29(11-9-28)23(31)15-13-32-20-19(15)26-21(27-22(20)30)17-4-2-3-7-25-17;23-19-17-16(21-18(22-19)14-3-1-2-7-20-14)13(10-25-17)11-4-5-15-12(9-11)6-8-24-15;1-24-14-8-10(5-6-12(14)22-23-24)11-9-26-16-15(11)20-17(21-18(16)25)13-4-2-3-7-19-13/h2-7,12-13H,8-11H2,1H3,(H,26,27,30);1-5,7,9-10H,6,8H2,(H,21,22,23);2-9H,1H3,(H,20,21,25)
InChIKeyYWJJRMKCGNAHLQ-UHFFFAOYSA-N
XLogP10.10
TPSA239.41 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001157.31
LogP ≤ 510.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 157109513
7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 159908989
7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 159966831
7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 160133853
7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 160253322
7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 160626769
7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 161316452
5-amino-N-benzyl-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;bis(5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 161575824
N-(2-amino-5-fluorophenyl)-4-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]methyl]benzamide;N-(4-aminothiophen-3-yl)-3-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]methyl]cyclobutane-1-carboxamide;5-[2-ethoxy-5-[[3-(3-oxopiperazine-1-carbonyl)cyclobutyl]methyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-[2-ethoxy-5-(2-oxo-3-pyridin-2-ylpropyl)phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 161936493
7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methoxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 162000608
7-(4-tert-butyl-2-fluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-fluoro-4-(1-fluoroethoxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[2-(hydroxymethyl)-4-methylphenyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 163960953
7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[6-(2-methylpropoxy)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[2-(piperidin-1-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 164005603

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 162033758) is 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c(F)c1.Cn1nnc2ccc(-c3csc4c(=O)[nH]c(-c5ccccn5)nc34)cc21.O=c1[nH]c(-c2ccccn2)nc2c(-c3ccc4c(c3)CCO4)csc12.
What is the InChIKey of 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YWJJRMKCGNAHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2S.C19H13N3O2S.C18H12N6OS/c1-14-5-6-18(16(24)12-14)28-8-10-29(11-9-28)23(31)15-13-32-20-19(15)26-21(27-22(20)30)17-4-2-3-7-25-17;23-19-17-16(21-18(22-19)14-3-1-2-7-20-14)13(10-25-17)11-4-5-15-12(9-11)6-8-24-15;1-24-14-8-10(5-6-12(14)22-23-24)11-9-26-16-15(11)20-17(21-18(16)25)13-4-2-3-7-19-13/h2-7,12-13H,8-11H2,1H3,(H,26,27,30);1-5,7,9-10H,6,8H2,(H,21,22,23);2-9H,1H3,(H,20,21,25).
What are the key properties of 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1157.31 g/mol, XLogP of 10.10, 7 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methylbenzotriazol-5-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 162033758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).