tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate

C23H27FN10O2 — CID 86692706

About tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 86692706) has the molecular formula C23H27FN10O2 and a molecular weight of 494.54 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
• PubChem CID: 86692706
• Molecular Formula: C23H27FN10O2
• Molecular Weight: 494.54 g/mol
• Exact Mass: 494.23
• IUPAC Name: tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
• SMILES: Cn1nnnc1-c1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(-c2cnc3ccc(F)cn23)n1
• InChI: InChI=1S/C23H27FN10O2/c1-23(2,3)36-22(35)33-9-5-6-15(13-33)26-18-10-16(21-29-30-31-32(21)4)27-20(28-18)17-11-25-19-8-7-14(24)12-34(17)19/h7-8,10-12,15H,5-6,9,13H2,1-4H3,(H,26,27,28)/t15-/m1/s1
• InChIKey: WWYJHSYZWBHDRO-OAHLLOKOSA-N
• XLogP: 2.93
• TPSA: 128.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.54
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?

The IUPAC name of tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 86692706) is tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is Cn1nnnc1-c1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(-c2cnc3ccc(F)cn23)n1.

What is the InChIKey of tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?

The InChIKey is WWYJHSYZWBHDRO-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27FN10O2/c1-23(2,3)36-22(35)33-9-5-6-15(13-33)26-18-10-16(21-29-30-31-32(21)4)27-20(28-18)17-11-25-19-8-7-14(24)12-34(17)19/h7-8,10-12,15H,5-6,9,13H2,1-4H3,(H,26,27,28)/t15-/m1/s1.

What are the key properties of tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?

tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 494.54 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(1-methyltetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 86692706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).