N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide

C26H31N7O2S — CID 147262490

About N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide

N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide (PubChem CID 147262490) has the molecular formula C26H31N7O2S and a molecular weight of 505.65 g/mol. Its IUPAC name is N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide.

Molecular Properties

• Compound Name: N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide
• PubChem CID: 147262490
• Molecular Formula: C26H31N7O2S
• Molecular Weight: 505.65 g/mol
• Exact Mass: 505.23
• IUPAC Name: N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide
• SMILES: [H]/N=C/N=C(\N)C1SC(c2c(C)nn3ccc(OCCN4CCOCC4)cc23)=NC1(C)c1ccccc1
• InChI: InChI=1S/C26H31N7O2S/c1-18-22(21-16-20(8-9-33(21)31-18)35-15-12-32-10-13-34-14-11-32)25-30-26(2,19-6-4-3-5-7-19)23(36-25)24(28)29-17-27/h3-9,16-17,23H,10-15H2,1-2H3,(H3,27,28,29)
• InChIKey: COVJMYYSSBYFAF-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 113.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.65
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide?

The IUPAC name of N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide (CID 147262490) is N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide.

What is the SMILES notation for N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide?

The canonical SMILES for N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide is [H]/N=C/N=C(\N)C1SC(c2c(C)nn3ccc(OCCN4CCOCC4)cc23)=NC1(C)c1ccccc1.

What is the InChIKey of N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide?

The InChIKey is COVJMYYSSBYFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2S/c1-18-22(21-16-20(8-9-33(21)31-18)35-15-12-32-10-13-34-14-11-32)25-30-26(2,19-6-4-3-5-7-19)23(36-25)24(28)29-17-27/h3-9,16-17,23H,10-15H2,1-2H3,(H3,27,28,29).

What are the key properties of N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide?

N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide has a molecular weight of 505.65 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methanimidoyl-4-methyl-2-[2-methyl-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5H-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 147262490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).