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

C22H25FN10O2 — CID 86692703

IUPACtert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(-c3nn[nH]n3)nc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C22H25FN10O2/c1-22(2,3)35-21(34)32-8-4-5-14(12-32)25-17-9-15(19-28-30-31-29-19)26-20(27-17)16-10-24-18-7-6-13(23)11-33(16)18/h6-7,9-11,14H,4-5,8,12H2,1-3H3,(H,25,26,27)(H,28,29,30,31)/t14-/m1/s1
InChIKeySPEAPVQWYJLLPU-CQSZACIVSA-N
MW480.51 g/mol
LogP2.92
Rot. Bonds4

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

tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 86692703) has the molecular formula C22H25FN10O2 and a molecular weight of 480.51 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID86692703
Molecular FormulaC22H25FN10O2
Molecular Weight480.51 g/mol
Exact Mass480.21
IUPAC Nametert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(-c3nn[nH]n3)nc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C22H25FN10O2/c1-22(2,3)35-21(34)32-8-4-5-14(12-32)25-17-9-15(19-28-30-31-29-19)26-20(27-17)16-10-24-18-7-6-13(23)11-33(16)18/h6-7,9-11,14H,4-5,8,12H2,1-3H3,(H,25,26,27)(H,28,29,30,31)/t14-/m1/s1
InChIKeySPEAPVQWYJLLPU-CQSZACIVSA-N
XLogP2.92
TPSA139.11 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2H-tetrazol-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-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 86692703) is tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2H-tetrazol-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-(2H-tetrazol-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-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(-c3nn[nH]n3)nc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is SPEAPVQWYJLLPU-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25FN10O2/c1-22(2,3)35-21(34)32-8-4-5-14(12-32)25-17-9-15(19-28-30-31-29-19)26-20(27-17)16-10-24-18-7-6-13(23)11-33(16)18/h6-7,9-11,14H,4-5,8,12H2,1-3H3,(H,25,26,27)(H,28,29,30,31)/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 480.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 10 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-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 86692703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).