ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine

C99H96N30O13S5 — CID 164997457

About ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine

ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine (PubChem CID 164997457) has the molecular formula C99H96N30O13S5 and a molecular weight of 2074.39 g/mol. Its IUPAC name is ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine.

Molecular Properties

• Compound Name: ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine
• PubChem CID: 164997457
• Molecular Formula: C99H96N30O13S5
• Molecular Weight: 2074.39 g/mol
• Exact Mass: 2072.64
• IUPAC Name: ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine
• SMILES: CCOC(=O)c1cc(C)n(-c2nc(N3CCOCC3)c3sc(-c4ccncc4)cc3n2)n1.CCOC(=O)c1cc(C)nn1-c1nc(N2CCOCC2)c2sc(-c3ccncc3)cc2n1.Cc1cc(C(=O)O)n(-c2nc(N3CCOCC3)c3sc(-c4ccncc4)cc3n2)n1.Cc1cc(C(=O)O)nn1-c1nc(N2CCOCC2)c2sc(-c3ccncc3)cc2n1.NNc1nc(N2CCOCC2)c2sc(-c3ccncc3)cc2n1
• InChI: InChI=1S/2C22H22N6O3S.2C20H18N6O3S.C15H16N6OS/c1-3-31-21(29)17-12-14(2)28(26-17)22-24-16-13-18(15-4-6-23-7-5-15)32-19(16)20(25-22)27-8-10-30-11-9-27;1-3-31-21(29)17-12-14(2)26-28(17)22-24-16-13-18(15-4-6-23-7-5-15)32-19(16)20(25-22)27-8-10-30-11-9-27;1-12-10-15(19(27)28)24-26(12)20-22-14-11-16(13-2-4-21-5-3-13)30-17(14)18(23-20)25-6-8-29-9-7-25;1-12-10-15(19(27)28)26(24-12)20-22-14-11-16(13-2-4-21-5-3-13)30-17(14)18(23-20)25-6-8-29-9-7-25;16-20-15-18-11-9-12(10-1-3-17-4-2-10)23-13(11)14(19-15)21-5-7-22-8-6-21/h2*4-7,12-13H,3,8-11H2,1-2H3;2*2-5,10-11H,6-9H2,1H3,(H,27,28);1-4,9H,5-8,16H2,(H,18,19,20)
• InChIKey: HTGGHLWCOSJYSR-UHFFFAOYSA-N
• XLogP: 13.96
• TPSA: 492.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 46
• Rotatable Bonds: 21
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2074.39
LogP ≤ 5	13.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine?

The IUPAC name of ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine (CID 164997457) is ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine.

What is the SMILES notation for ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine?

The canonical SMILES for ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine is CCOC(=O)c1cc(C)n(-c2nc(N3CCOCC3)c3sc(-c4ccncc4)cc3n2)n1.CCOC(=O)c1cc(C)nn1-c1nc(N2CCOCC2)c2sc(-c3ccncc3)cc2n1.Cc1cc(C(=O)O)n(-c2nc(N3CCOCC3)c3sc(-c4ccncc4)cc3n2)n1.Cc1cc(C(=O)O)nn1-c1nc(N2CCOCC2)c2sc(-c3ccncc3)cc2n1.NNc1nc(N2CCOCC2)c2sc(-c3ccncc3)cc2n1.

What is the InChIKey of ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine?

The InChIKey is HTGGHLWCOSJYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22N6O3S.2C20H18N6O3S.C15H16N6OS/c1-3-31-21(29)17-12-14(2)28(26-17)22-24-16-13-18(15-4-6-23-7-5-15)32-19(16)20(25-22)27-8-10-30-11-9-27;1-3-31-21(29)17-12-14(2)26-28(17)22-24-16-13-18(15-4-6-23-7-5-15)32-19(16)20(25-22)27-8-10-30-11-9-27;1-12-10-15(19(27)28)24-26(12)20-22-14-11-16(13-2-4-21-5-3-13)30-17(14)18(23-20)25-6-8-29-9-7-25;1-12-10-15(19(27)28)26(24-12)20-22-14-11-16(13-2-4-21-5-3-13)30-17(14)18(23-20)25-6-8-29-9-7-25;16-20-15-18-11-9-12(10-1-3-17-4-2-10)23-13(11)14(19-15)21-5-7-22-8-6-21/h2*4-7,12-13H,3,8-11H2,1-2H3;2*2-5,10-11H,6-9H2,1H3,(H,27,28);1-4,9H,5-8,16H2,(H,18,19,20).

What are the key properties of ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine?

ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine has a molecular weight of 2074.39 g/mol, XLogP of 13.96, 21 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylate;5-methyl-1-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;5-methyl-2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrazole-3-carboxylic acid;(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)hydrazine is sourced from PubChem (CID 164997457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).