5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde

C23H25N7O3 — CID 174989807

About 5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde

5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde (PubChem CID 174989807) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde
• PubChem CID: 174989807
• Molecular Formula: C23H25N7O3
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.20
• IUPAC Name: 5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde
• SMILES: Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(C=O)cn4C)n2)cc1CN1CC(C)(O)CO1
• InChI: InChI=1S/C23H25N7O3/c1-15-16(10-29-13-23(2,32)14-33-29)11-30(27-15)21-6-7-24-22(26-21)25-18-4-5-20-19(8-18)17(12-31)9-28(20)3/h4-9,11-12,32H,10,13-14H2,1-3H3,(H,24,25,26)
• InChIKey: BIRIZGRGVBLODS-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 110.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde?

The IUPAC name of 5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde (CID 174989807) is 5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde.

What is the SMILES notation for 5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde?

The canonical SMILES for 5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde is Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(C=O)cn4C)n2)cc1CN1CC(C)(O)CO1.

What is the InChIKey of 5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde?

The InChIKey is BIRIZGRGVBLODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-15-16(10-29-13-23(2,32)14-33-29)11-30(27-15)21-6-7-24-22(26-21)25-18-4-5-20-19(8-18)17(12-31)9-28(20)3/h4-9,11-12,32H,10,13-14H2,1-3H3,(H,24,25,26).

What are the key properties of 5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde?

5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde has a molecular weight of 447.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[4-[(4-hydroxy-4-methyl-1,2-oxazolidin-2-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 174989807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).