7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one

C85H65FN22O5S5 — CID 158566670

IUPAC7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(F)c1cncc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.Cc1c(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cnn1C.Cc1nn(C(C)C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1-c1ccncc1.O=c1[nH]c(-c2ccccn2)nc2c(-c3cccnc3)csc12
InChIInChI=1S/C18H13FN4OS.C18H17N5OS.C17H12N4OS.C16H13N5OS.C16H10N4OS/c1-10(19)11-6-12(8-20-7-11)13-9-25-16-15(13)22-17(23-18(16)24)14-4-2-3-5-21-14;1-10(2)23-8-12(11(3)22-23)13-9-25-16-15(13)20-17(21-18(16)24)14-6-4-5-7-19-14;1-10-13(11-5-8-18-9-6-11)14-15(23-10)17(22)21-16(20-14)12-4-2-3-7-19-12;1-9-10(7-18-21(9)2)11-8-23-14-13(11)19-15(20-16(14)22)12-5-3-4-6-17-12;21-16-14-13(11(9-22-14)10-4-3-6-17-8-10)19-15(20-16)12-5-1-2-7-18-12/h2-10H,1H3,(H,22,23,24);4-10H,1-3H3,(H,20,21,24);2-9H,1H3,(H,20,21,22);3-8H,1-2H3,(H,19,20,22);1-9H,(H,19,20,21)
InChIKeyHROJVHAGPLKEOR-UHFFFAOYSA-N
MW1653.94 g/mol
LogP17.22
Rot. Bonds12

About 7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 158566670) has the molecular formula C85H65FN22O5S5 and a molecular weight of 1653.94 g/mol. Its IUPAC name is 7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID158566670
Molecular FormulaC85H65FN22O5S5
Molecular Weight1653.94 g/mol
Exact Mass1652.41
IUPAC Name7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(F)c1cncc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.Cc1c(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cnn1C.Cc1nn(C(C)C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1-c1ccncc1.O=c1[nH]c(-c2ccccn2)nc2c(-c3cccnc3)csc12
InChIInChI=1S/C18H13FN4OS.C18H17N5OS.C17H12N4OS.C16H13N5OS.C16H10N4OS/c1-10(19)11-6-12(8-20-7-11)13-9-25-16-15(13)22-17(23-18(16)24)14-4-2-3-5-21-14;1-10(2)23-8-12(11(3)22-23)13-9-25-16-15(13)20-17(21-18(16)24)14-6-4-5-7-19-14;1-10-13(11-5-8-18-9-6-11)14-15(23-10)17(22)21-16(20-14)12-4-2-3-7-19-12;1-9-10(7-18-21(9)2)11-8-23-14-13(11)19-15(20-16(14)22)12-5-3-4-6-17-12;21-16-14-13(11(9-22-14)10-4-3-6-17-8-10)19-15(20-16)12-5-1-2-7-18-12/h2-10H,1H3,(H,22,23,24);4-10H,1-3H3,(H,20,21,24);2-9H,1H3,(H,20,21,22);3-8H,1-2H3,(H,19,20,22);1-9H,(H,19,20,21)
InChIKeyHROJVHAGPLKEOR-UHFFFAOYSA-N
XLogP17.22
TPSA367.51 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001653.94
LogP ≤ 517.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

Simurosertib hemihydrate
CID 135564530
5-amino-3,4-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)azetidin-3-yl]cyclohexanecarboxamide;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;5-amino-3,4-dimethyl-N-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 162258056
N-methyl-5-[4-[3-[1-methyl-4-oxo-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-6-yl]piperidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide;N-methyl-5-[4-[3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148868
5-amino-1-[[5-amino-3-methyl-6-(5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)thieno[2,3-c]pyridazin-4-yl]methyl]-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazin-1-ium-6-carboxamide
CID 123159332
2-[5-[3-[4-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperazin-1-yl]phenyl]-2-pyridinyl]-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 137213622
2-(1-azabicyclo[2.2.2]octan-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one;2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrate
CID 137238932
7-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429598
7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429707
6-[2-[4-oxo-7-(piperidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-2-yl]-4-pyridinyl]-7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 142506608
5-amino-1-[[5-amino-3-methyl-6-[(1R,4S)-5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]thieno[2,3-c]pyridazin-4-yl]methyl]-3,4-dimethyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)thieno[2,3-c]pyridazin-1-ium-6-carboxamide
CID 145628281
2-[5-[(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)-piperidin-4-ylmethyl]-2-pyridinyl]-7-(piperidin-3-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 146395944
tert-butyl 4-[(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)methyl]piperidine-1-carboxylate;bis(7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one)
CID 157288541

Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 158566670) is 7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(F)c1cncc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.Cc1c(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)cnn1C.Cc1nn(C(C)C)cc1-c1csc2c(=O)[nH]c(-c3ccccn3)nc12.Cc1sc2c(=O)[nH]c(-c3ccccn3)nc2c1-c1ccncc1.O=c1[nH]c(-c2ccccn2)nc2c(-c3cccnc3)csc12.
What is the InChIKey of 7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is HROJVHAGPLKEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS.C18H17N5OS.C17H12N4OS.C16H13N5OS.C16H10N4OS/c1-10(19)11-6-12(8-20-7-11)13-9-25-16-15(13)22-17(23-18(16)24)14-4-2-3-5-21-14;1-10(2)23-8-12(11(3)22-23)13-9-25-16-15(13)20-17(21-18(16)24)14-6-4-5-7-19-14;1-10-13(11-5-8-18-9-6-11)14-15(23-10)17(22)21-16(20-14)12-4-2-3-7-19-12;1-9-10(7-18-21(9)2)11-8-23-14-13(11)19-15(20-16(14)22)12-5-3-4-6-17-12;21-16-14-13(11(9-22-14)10-4-3-6-17-8-10)19-15(20-16)12-5-1-2-7-18-12/h2-10H,1H3,(H,22,23,24);4-10H,1-3H3,(H,20,21,24);2-9H,1H3,(H,20,21,22);3-8H,1-2H3,(H,19,20,22);1-9H,(H,19,20,21).
What are the key properties of 7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1653.94 g/mol, XLogP of 17.22, 12 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-methyl-1-propan-2-ylpyrazol-4-yl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;6-methyl-2-pyridin-2-yl-7-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-pyridin-3-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 158566670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).