tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate

C20H30FN5O2 — CID 176566555

IUPACtert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1CCNC(c2c(C)nc3c(F)cc(N)cn23)C1
InChIInChI=1S/C20H30FN5O2/c1-6-25(19(27)28-20(3,4)5)14-7-8-23-16(10-14)17-12(2)24-18-15(21)9-13(22)11-26(17)18/h9,11,14,16,23H,6-8,10,22H2,1-5H3
InChIKeyAUKGWTMJZCLMGL-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate

tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate (PubChem CID 176566555) has the molecular formula C20H30FN5O2 and a molecular weight of 391.49 g/mol. Its IUPAC name is tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate
PubChem CID176566555
Molecular FormulaC20H30FN5O2
Molecular Weight391.49 g/mol
Exact Mass391.24
IUPAC Nametert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1CCNC(c2c(C)nc3c(F)cc(N)cn23)C1
InChIInChI=1S/C20H30FN5O2/c1-6-25(19(27)28-20(3,4)5)14-7-8-23-16(10-14)17-12(2)24-18-15(21)9-13(22)11-26(17)18/h9,11,14,16,23H,6-8,10,22H2,1-5H3
InChIKeyAUKGWTMJZCLMGL-UHFFFAOYSA-N
XLogP3.41
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate (CID 176566555) is tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)C1CCNC(c2c(C)nc3c(F)cc(N)cn23)C1.
What is the InChIKey of tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate?
The InChIKey is AUKGWTMJZCLMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN5O2/c1-6-25(19(27)28-20(3,4)5)14-7-8-23-16(10-14)17-12(2)24-18-15(21)9-13(22)11-26(17)18/h9,11,14,16,23H,6-8,10,22H2,1-5H3.
What are the key properties of tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate?
tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate has a molecular weight of 391.49 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)piperidin-4-yl]-N-ethylcarbamate is sourced from PubChem (CID 176566555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).