[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate

C29H33FN8O4 — CID 156761895

About [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate

[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate (PubChem CID 156761895) has the molecular formula C29H33FN8O4 and a molecular weight of 576.63 g/mol. Its IUPAC name is [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate
• PubChem CID: 156761895
• Molecular Formula: C29H33FN8O4
• Molecular Weight: 576.63 g/mol
• Exact Mass: 576.26
• IUPAC Name: [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate
• SMILES: CC(=O)c1cc(-c2ncc(-c3cnn(COC(=O)N4CCC(N5CCCCC5)CC4)c3)c3onc(N)c23)c(F)cc1N
• InChI: InChI=1S/C29H33FN8O4/c1-17(39)20-11-21(23(30)12-24(20)31)26-25-27(42-35-28(25)32)22(14-33-26)18-13-34-38(15-18)16-41-29(40)37-9-5-19(6-10-37)36-7-3-2-4-8-36/h11-15,19H,2-10,16,31H2,1H3,(H2,32,35)
• InChIKey: GOYNGSSSMKYPRH-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 158.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.63
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate?

The IUPAC name of [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate (CID 156761895) is [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate.

What is the SMILES notation for [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate?

The canonical SMILES for [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate is CC(=O)c1cc(-c2ncc(-c3cnn(COC(=O)N4CCC(N5CCCCC5)CC4)c3)c3onc(N)c23)c(F)cc1N.

What is the InChIKey of [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate?

The InChIKey is GOYNGSSSMKYPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN8O4/c1-17(39)20-11-21(23(30)12-24(20)31)26-25-27(42-35-28(25)32)22(14-33-26)18-13-34-38(15-18)16-41-29(40)37-9-5-19(6-10-37)36-7-3-2-4-8-36/h11-15,19H,2-10,16,31H2,1H3,(H2,32,35).

What are the key properties of [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate?

[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate has a molecular weight of 576.63 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 156761895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).