tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate

C19H28FN5O2 — CID 176565918

IUPACtert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate
SMILESCc1cn2c(C3NC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H]3C)c(N)cc(F)c2n1
InChIInChI=1S/C19H28FN5O2/c1-10-9-24-16(14(21)7-13(20)17(24)23-10)15-12(3)25(11(2)8-22-15)18(26)27-19(4,5)6/h7,9,11-12,15,22H,8,21H2,1-6H3/t11-,12-,15?/m1/s1
InChIKeyUPKOVBZQRWRPDE-IQQIRFCMSA-N
MW377.46 g/mol
LogP3.02
Rot. Bonds1

About tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate

tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 176565918) has the molecular formula C19H28FN5O2 and a molecular weight of 377.46 g/mol. Its IUPAC name is tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate
PubChem CID176565918
Molecular FormulaC19H28FN5O2
Molecular Weight377.46 g/mol
Exact Mass377.22
IUPAC Nametert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate
SMILESCc1cn2c(C3NC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H]3C)c(N)cc(F)c2n1
InChIInChI=1S/C19H28FN5O2/c1-10-9-24-16(14(21)7-13(20)17(24)23-10)15-12(3)25(11(2)8-22-15)18(26)27-19(4,5)6/h7,9,11-12,15,22H,8,21H2,1-6H3/t11-,12-,15?/m1/s1
InChIKeyUPKOVBZQRWRPDE-IQQIRFCMSA-N
XLogP3.02
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate (CID 176565918) is tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate is Cc1cn2c(C3NC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H]3C)c(N)cc(F)c2n1.
What is the InChIKey of tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is UPKOVBZQRWRPDE-IQQIRFCMSA-N. The full InChI is InChI=1S/C19H28FN5O2/c1-10-9-24-16(14(21)7-13(20)17(24)23-10)15-12(3)25(11(2)8-22-15)18(26)27-19(4,5)6/h7,9,11-12,15,22H,8,21H2,1-6H3/t11-,12-,15?/m1/s1.
What are the key properties of tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate?
tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 377.46 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6R)-3-(6-amino-8-fluoro-2-methylimidazo[1,2-a]pyridin-5-yl)-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 176565918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).