7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one

C64H53N11O7S3 — CID 159183489

IUPAC7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1cc2c(cc1OC)CCN(C(=O)c1csc3c(=O)[nH]c(-c4ccccn4)nc13)CC2.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCc2ccccc2CC1
InChIInChI=1S/C24H22N4O4S.C22H18N4O2S.C18H13N3OS/c1-31-18-11-14-6-9-28(10-7-15(14)12-19(18)32-2)24(30)16-13-33-21-20(16)26-22(27-23(21)29)17-5-3-4-8-25-17;27-21-19-18(24-20(25-21)17-7-3-4-10-23-17)16(13-29-19)22(28)26-11-8-14-5-1-2-6-15(14)9-12-26;1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,26,27,29);1-7,10,13H,8-9,11-12H2,(H,24,25,27);2-10H,1H3,(H,20,21,22)
InChIKeyKNESSHDEQQRCKO-UHFFFAOYSA-N
MW1184.40 g/mol
LogP10.61
Rot. Bonds8

About 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one

7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159183489) has the molecular formula C64H53N11O7S3 and a molecular weight of 1184.40 g/mol. Its IUPAC name is 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID159183489
Molecular FormulaC64H53N11O7S3
Molecular Weight1184.40 g/mol
Exact Mass1183.33
IUPAC Name7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1cc2c(cc1OC)CCN(C(=O)c1csc3c(=O)[nH]c(-c4ccccn4)nc13)CC2.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCc2ccccc2CC1
InChIInChI=1S/C24H22N4O4S.C22H18N4O2S.C18H13N3OS/c1-31-18-11-14-6-9-28(10-7-15(14)12-19(18)32-2)24(30)16-13-33-21-20(16)26-22(27-23(21)29)17-5-3-4-8-25-17;27-21-19-18(24-20(25-21)17-7-3-4-10-23-17)16(13-29-19)22(28)26-11-8-14-5-1-2-6-15(14)9-12-26;1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,26,27,29);1-7,10,13H,8-9,11-12H2,(H,24,25,27);2-10H,1H3,(H,20,21,22)
InChIKeyKNESSHDEQQRCKO-UHFFFAOYSA-N
XLogP10.61
TPSA235.00 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001184.40
LogP ≤ 510.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

N-[4-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]thiophen-3-yl]quinoline-3-carboxamide
CID 10886468
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl-phenylcarbamoyl]thiophen-3-yl]-6-methylpyridine-3-carboxamide
CID 91111453
7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137213623
7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137223318
7-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429576
N-[4-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]thiophen-3-yl]quinoline-3-carboxamide;ethane
CID 141902982
12-[7-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)-1,3-benzodioxol-4-yl]-5-pyridin-2-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 142506730
7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 145341952
7-[(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-hydroxymethyl]-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 156256719
7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-(2-hydroxyethyl)-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157162847
N-(2-hydroxyethyl)-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;methane;7-(7-methoxy-8-methyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157246692
7-(7-methoxy-8-methyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 157246693

Frequently Asked Questions

What is the IUPAC name of 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 159183489) is 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one is COc1cc2c(cc1OC)CCN(C(=O)c1csc3c(=O)[nH]c(-c4ccccn4)nc13)CC2.Cc1ccccc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCc2ccccc2CC1.
What is the InChIKey of 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KNESSHDEQQRCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S.C22H18N4O2S.C18H13N3OS/c1-31-18-11-14-6-9-28(10-7-15(14)12-19(18)32-2)24(30)16-13-33-21-20(16)26-22(27-23(21)29)17-5-3-4-8-25-17;27-21-19-18(24-20(25-21)17-7-3-4-10-23-17)16(13-29-19)22(28)26-11-8-14-5-1-2-6-15(14)9-12-26;1-11-6-2-3-7-12(11)13-10-23-16-15(13)20-17(21-18(16)22)14-8-4-5-9-19-14/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,26,27,29);1-7,10,13H,8-9,11-12H2,(H,24,25,27);2-10H,1H3,(H,20,21,22).
What are the key properties of 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?
7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1184.40 g/mol, XLogP of 10.61, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-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;2-pyridin-2-yl-7-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159183489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).