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

C21H25FN6O2 — CID 67242992

IUPACtert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C21H25FN6O2/c1-21(2,3)30-20(29)27-10-4-5-15(13-27)25-17-8-9-23-19(26-17)16-11-24-18-7-6-14(22)12-28(16)18/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,23,25,26)
InChIKeyOELUKCROHPFFND-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.74
Rot. Bonds3

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

tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 67242992) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID67242992
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC Nametert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C21H25FN6O2/c1-21(2,3)30-20(29)27-10-4-5-15(13-27)25-17-8-9-23-19(26-17)16-11-24-18-7-6-14(22)12-28(16)18/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,23,25,26)
InChIKeyOELUKCROHPFFND-UHFFFAOYSA-N
XLogP3.74
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 67242992) is tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is OELUKCROHPFFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-21(2,3)30-20(29)27-10-4-5-15(13-27)25-17-8-9-23-19(26-17)16-11-24-18-7-6-14(22)12-28(16)18/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,23,25,26).
What are the key properties of tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 412.47 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 67242992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).