5-[[4-[3-cyclopropyl-4-[(4-hydroxy-1,2-oxazolidin-2-yl)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-ethylindole-3-carbaldehyde

C25H27N7O3 — CID 174988036

About 5-[[4-[3-cyclopropyl-4-[(4-hydroxy-1,2-oxazolidin-2-yl)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-ethylindole-3-carbaldehyde

5-[[4-[3-cyclopropyl-4-[(4-hydroxy-1,2-oxazolidin-2-yl)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-ethylindole-3-carbaldehyde (PubChem CID 174988036) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 5-[[4-[3-cyclopropyl-4-[(4-hydroxy-1,2-oxazolidin-2-yl)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-ethylindole-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-[[4-[3-cyclopropyl-4-[(4-hydroxy-1,2-oxazolidin-2-yl)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-ethylindole-3-carbaldehyde
• PubChem CID: 174988036
• Molecular Formula: C25H27N7O3
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.22
• IUPAC Name: 5-[[4-[3-cyclopropyl-4-[(4-hydroxy-1,2-oxazolidin-2-yl)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-ethylindole-3-carbaldehyde
• SMILES: CCn1cc(C=O)c2cc(Nc3nccc(-n4cc(CN5CC(O)CO5)c(C5CC5)n4)n3)ccc21
• InChI: InChI=1S/C25H27N7O3/c1-2-30-10-18(14-33)21-9-19(5-6-22(21)30)27-25-26-8-7-23(28-25)32-12-17(24(29-32)16-3-4-16)11-31-13-20(34)15-35-31/h5-10,12,14,16,20,34H,2-4,11,13,15H2,1H3,(H,26,27,28)
• InChIKey: BVBKIWMFGOPGIV-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 110.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	3.18
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-[3-cyclopropyl-4-[(4-hydroxy-1,2-oxazolidin-2-yl)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-ethylindole-3-carbaldehyde?

The IUPAC name of 5-[[4-[3-cyclopropyl-4-[(4-hydroxy-1,2-oxazolidin-2-yl)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-ethylindole-3-carbaldehyde (CID 174988036) is 5-[[4-[3-cyclopropyl-4-[(4-hydroxy-1,2-oxazolidin-2-yl)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-ethylindole-3-carbaldehyde.

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

The canonical SMILES for 5-[[4-[3-cyclopropyl-4-[(4-hydroxy-1,2-oxazolidin-2-yl)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-ethylindole-3-carbaldehyde is CCn1cc(C=O)c2cc(Nc3nccc(-n4cc(CN5CC(O)CO5)c(C5CC5)n4)n3)ccc21.

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

The InChIKey is BVBKIWMFGOPGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-2-30-10-18(14-33)21-9-19(5-6-22(21)30)27-25-26-8-7-23(28-25)32-12-17(24(29-32)16-3-4-16)11-31-13-20(34)15-35-31/h5-10,12,14,16,20,34H,2-4,11,13,15H2,1H3,(H,26,27,28).

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

5-[[4-[3-cyclopropyl-4-[(4-hydroxy-1,2-oxazolidin-2-yl)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-ethylindole-3-carbaldehyde has a molecular weight of 473.54 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[3-cyclopropyl-4-[(4-hydroxy-1,2-oxazolidin-2-yl)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-ethylindole-3-carbaldehyde is sourced from PubChem (CID 174988036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).