2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine

C16H23FN4 — CID 82529388

IUPAC2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1nc2c(F)cccn2c1CN1CCNCC1
InChIInChI=1S/C16H23FN4/c1-16(2,3)14-13(11-20-9-6-18-7-10-20)21-8-4-5-12(17)15(21)19-14/h4-5,8,18H,6-7,9-11H2,1-3H3
InChIKeyHHUPIFSTNOBADZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.18
Rot. Bonds2

About 2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine

2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 82529388) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID82529388
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1nc2c(F)cccn2c1CN1CCNCC1
InChIInChI=1S/C16H23FN4/c1-16(2,3)14-13(11-20-9-6-18-7-10-20)21-8-4-5-12(17)15(21)19-14/h4-5,8,18H,6-7,9-11H2,1-3H3
InChIKeyHHUPIFSTNOBADZ-UHFFFAOYSA-N
XLogP2.18
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 82529387
8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82529628
2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine
CID 82058372
2-(2-tert-butyl-8-chloroimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82529429
2-[4-[8-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]acetonitrile
CID 170886315
2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 82510170
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole
CID 65205358
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine
CID 66842407
1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine
CID 116993762
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
3-[(2-fluorophenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 62312249

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine (CID 82529388) is 2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine is CC(C)(C)c1nc2c(F)cccn2c1CN1CCNCC1.
What is the InChIKey of 2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is HHUPIFSTNOBADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-16(2,3)14-13(11-20-9-6-18-7-10-20)21-8-4-5-12(17)15(21)19-14/h4-5,8,18H,6-7,9-11H2,1-3H3.
What are the key properties of 2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine?
2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 290.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 82529388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).