2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide

C97H75N27O7S5 — CID 158412431

IUPAC2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide
SMILESCC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.CC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.O=C(CCc1cncnc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(CCn1ccnc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(COCc1cc[nH]c(=O)c1)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C22H17N5OS.C21H15N5OS.C19H15N5O3S.C18H14N6OS.C17H14N6OS/c1-22(2,15-8-6-14(13-23)7-9-15)21(28)27-18-16-10-12-29-20(16)26-19(25-18)17-5-3-4-11-24-17;1-13(15-7-5-14(12-22)6-8-15)20(27)25-18-16-9-11-28-21(16)26-19(24-18)17-4-2-3-10-23-17;25-15-9-12(4-7-21-15)10-27-11-16(26)22-17-13-5-8-28-19(13)24-18(23-17)14-3-1-2-6-20-14;25-15(5-4-12-9-19-11-20-10-12)22-16-13-6-8-26-18(13)24-17(23-16)14-3-1-2-7-21-14;24-14(4-8-23-9-7-18-11-23)20-15-12-5-10-25-17(12)22-16(21-15)13-3-1-2-6-19-13/h3-12H,1-2H3,(H,25,26,27,28);2-11,13H,1H3,(H,24,25,26,27);1-9H,10-11H2,(H,21,25)(H,22,23,24,26);1-3,6-11H,4-5H2,(H,22,23,24,25);1-3,5-7,9-11H,4,8H2,(H,20,21,22,24)
InChIKeyGZMAEPPXHSCXQO-UHFFFAOYSA-N
MW1891.18 g/mol
LogP17.60
Rot. Bonds24

About 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide

2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide (PubChem CID 158412431) has the molecular formula C97H75N27O7S5 and a molecular weight of 1891.18 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide
PubChem CID158412431
Molecular FormulaC97H75N27O7S5
Molecular Weight1891.18 g/mol
Exact Mass1889.49
IUPAC Name2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide
SMILESCC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.CC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.O=C(CCc1cncnc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(CCn1ccnc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(COCc1cc[nH]c(=O)c1)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C22H17N5OS.C21H15N5OS.C19H15N5O3S.C18H14N6OS.C17H14N6OS/c1-22(2,15-8-6-14(13-23)7-9-15)21(28)27-18-16-10-12-29-20(16)26-19(25-18)17-5-3-4-11-24-17;1-13(15-7-5-14(12-22)6-8-15)20(27)25-18-16-9-11-28-21(16)26-19(24-18)17-4-2-3-10-23-17;25-15-9-12(4-7-21-15)10-27-11-16(26)22-17-13-5-8-28-19(13)24-18(23-17)14-3-1-2-6-20-14;25-15(5-4-12-9-19-11-20-10-12)22-16-13-6-8-26-18(13)24-17(23-16)14-3-1-2-7-21-14;24-14(4-8-23-9-7-18-11-23)20-15-12-5-10-25-17(12)22-16(21-15)13-3-1-2-6-19-13/h3-12H,1-2H3,(H,25,26,27,28);2-11,13H,1H3,(H,24,25,26,27);1-9H,10-11H2,(H,21,25)(H,22,23,24,26);1-3,6-11H,4-5H2,(H,22,23,24,25);1-3,5-7,9-11H,4,8H2,(H,20,21,22,24)
InChIKeyGZMAEPPXHSCXQO-UHFFFAOYSA-N
XLogP17.60
TPSA472.12 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001891.18
LogP ≤ 517.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide?
The IUPAC name of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide (CID 158412431) is 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide.
What is the SMILES notation for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide?
The canonical SMILES for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide is CC(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.CC(C)(C(=O)Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(C#N)cc1.O=C(CCc1cncnc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(CCn1ccnc1)Nc1nc(-c2ccccn2)nc2sccc12.O=C(COCc1cc[nH]c(=O)c1)Nc1nc(-c2ccccn2)nc2sccc12.
What is the InChIKey of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide?
The InChIKey is GZMAEPPXHSCXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS.C21H15N5OS.C19H15N5O3S.C18H14N6OS.C17H14N6OS/c1-22(2,15-8-6-14(13-23)7-9-15)21(28)27-18-16-10-12-29-20(16)26-19(25-18)17-5-3-4-11-24-17;1-13(15-7-5-14(12-22)6-8-15)20(27)25-18-16-9-11-28-21(16)26-19(24-18)17-4-2-3-10-23-17;25-15-9-12(4-7-21-15)10-27-11-16(26)22-17-13-5-8-28-19(13)24-18(23-17)14-3-1-2-6-20-14;25-15(5-4-12-9-19-11-20-10-12)22-16-13-6-8-26-18(13)24-17(23-16)14-3-1-2-7-21-14;24-14(4-8-23-9-7-18-11-23)20-15-12-5-10-25-17(12)22-16(21-15)13-3-1-2-6-19-13/h3-12H,1-2H3,(H,25,26,27,28);2-11,13H,1H3,(H,24,25,26,27);1-9H,10-11H2,(H,21,25)(H,22,23,24,26);1-3,6-11H,4-5H2,(H,22,23,24,25);1-3,5-7,9-11H,4,8H2,(H,20,21,22,24).
What are the key properties of 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide?
2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide has a molecular weight of 1891.18 g/mol, XLogP of 17.60, 24 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-2-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-(4-cyanophenyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;3-imidazol-1-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)propanamide;2-[(2-oxo-1H-pyridin-4-yl)methoxy]-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)acetamide;N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-3-pyrimidin-5-ylpropanamide is sourced from PubChem (CID 158412431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).