3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde

C24H25N7OS — CID 139556360

About 3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde

3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde (PubChem CID 139556360) has the molecular formula C24H25N7OS and a molecular weight of 459.58 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde.

Molecular Properties

• Compound Name: 3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde
• PubChem CID: 139556360
• Molecular Formula: C24H25N7OS
• Molecular Weight: 459.58 g/mol
• Exact Mass: 459.18
• IUPAC Name: 3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde
• SMILES: Cn1cc(-c2nn(C)c3ccc(-c4nc(C5=CCSCC5)n5c4CN(C=O)CC5)cc23)cn1
• InChI: InChI=1S/C24H25N7OS/c1-28-13-18(12-25-28)22-19-11-17(3-4-20(19)29(2)27-22)23-21-14-30(15-32)7-8-31(21)24(26-23)16-5-9-33-10-6-16/h3-5,11-13,15H,6-10,14H2,1-2H3
• InChIKey: AULSAPIMZOLKQS-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 73.77 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.58
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde?

The IUPAC name of 3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde (CID 139556360) is 3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde.

What is the SMILES notation for 3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde?

The canonical SMILES for 3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde is Cn1cc(-c2nn(C)c3ccc(-c4nc(C5=CCSCC5)n5c4CN(C=O)CC5)cc23)cn1.

What is the InChIKey of 3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde?

The InChIKey is AULSAPIMZOLKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7OS/c1-28-13-18(12-25-28)22-19-11-17(3-4-20(19)29(2)27-22)23-21-14-30(15-32)7-8-31(21)24(26-23)16-5-9-33-10-6-16/h3-5,11-13,15H,6-10,14H2,1-2H3.

What are the key properties of 3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde?

3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde has a molecular weight of 459.58 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,6-dihydro-2H-thiopyran-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde is sourced from PubChem (CID 139556360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).