1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea

C25H24F3N11O2 — CID 171090781

About 1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea

1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea (PubChem CID 171090781) has the molecular formula C25H24F3N11O2 and a molecular weight of 567.54 g/mol. Its IUPAC name is 1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea.

Molecular Properties

• Compound Name: 1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea
• PubChem CID: 171090781
• Molecular Formula: C25H24F3N11O2
• Molecular Weight: 567.54 g/mol
• Exact Mass: 567.21
• IUPAC Name: 1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea
• SMILES: Nc1ncnc2c1c(-c1ccc(NC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c3nccn13)nn2C1CCNCC1
• InChI: InChI=1S/C25H24F3N11O2/c26-25(27,28)24(5-6-24)16-11-17(37-41-16)35-23(40)34-14-1-2-15(38-10-9-31-21(14)38)19-18-20(29)32-12-33-22(18)39(36-19)13-3-7-30-8-4-13/h1-2,9-13,30H,3-8H2,(H2,29,32,33)(H2,34,35,37,40)
• InChIKey: SVLRBUSOBMBKQS-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 166.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.54
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea?

The IUPAC name of 1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea (CID 171090781) is 1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea.

What is the SMILES notation for 1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea?

The canonical SMILES for 1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea is Nc1ncnc2c1c(-c1ccc(NC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c3nccn13)nn2C1CCNCC1.

What is the InChIKey of 1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea?

The InChIKey is SVLRBUSOBMBKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N11O2/c26-25(27,28)24(5-6-24)16-11-17(37-41-16)35-23(40)34-14-1-2-15(38-10-9-31-21(14)38)19-18-20(29)32-12-33-22(18)39(36-19)13-3-7-30-8-4-13/h1-2,9-13,30H,3-8H2,(H2,29,32,33)(H2,34,35,37,40).

What are the key properties of 1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea?

1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea has a molecular weight of 567.54 g/mol, XLogP of 3.87, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea is sourced from PubChem (CID 171090781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).