tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate

C22H24F3N7O4 — CID 59251901

IUPACtert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1C(=O)Nc1cn2cc(-c3cnc(N)c(OCC(F)(F)F)n3)ccc2n1
InChIInChI=1S/C22H24F3N7O4/c1-21(2,3)36-20(34)32-7-6-14(32)18(33)30-15-10-31-9-12(4-5-16(31)29-15)13-8-27-17(26)19(28-13)35-11-22(23,24)25/h4-5,8-10,14H,6-7,11H2,1-3H3,(H2,26,27)(H,30,33)
InChIKeyKWBSTYXSKDOFEZ-UHFFFAOYSA-N
MW507.47 g/mol
LogP3.26
Rot. Bonds5

About tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate

tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate (PubChem CID 59251901) has the molecular formula C22H24F3N7O4 and a molecular weight of 507.47 g/mol. Its IUPAC name is tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate
PubChem CID59251901
Molecular FormulaC22H24F3N7O4
Molecular Weight507.47 g/mol
Exact Mass507.18
IUPAC Nametert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1C(=O)Nc1cn2cc(-c3cnc(N)c(OCC(F)(F)F)n3)ccc2n1
InChIInChI=1S/C22H24F3N7O4/c1-21(2,3)36-20(34)32-7-6-14(32)18(33)30-15-10-31-9-12(4-5-16(31)29-15)13-8-27-17(26)19(28-13)35-11-22(23,24)25/h4-5,8-10,14H,6-7,11H2,1-3H3,(H2,26,27)(H,30,33)
InChIKeyKWBSTYXSKDOFEZ-UHFFFAOYSA-N
XLogP3.26
TPSA136.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate with MolForge

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Related Compounds

N-[6-[5-amino-6-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251904
N-[6-[5-amino-6-(azetidin-3-yloxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251846
6-[5-amino-6-(2-methoxyethoxy)pyrazin-2-yl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 143527795
tert-butyl 4-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-aminopyridine-3-carbonyl]piperazine-1-carboxylate
CID 59252089
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 68528559
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methylamino)acetamide
CID 59251961
tert-butyl (2S)-2-[6-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate
CID 53491590
(2S)-1-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 59251886
tert-butyl 2-(1,3-benzothiazol-2-ylcarbamoyl)azetidine-1-carboxylate
CID 91536144
2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid
CID 68570894
tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
CID 162353607
tert-butyl 2-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 70865337

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate (CID 59251901) is tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC1C(=O)Nc1cn2cc(-c3cnc(N)c(OCC(F)(F)F)n3)ccc2n1.
What is the InChIKey of tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate?
The InChIKey is KWBSTYXSKDOFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O4/c1-21(2,3)36-20(34)32-7-6-14(32)18(33)30-15-10-31-9-12(4-5-16(31)29-15)13-8-27-17(26)19(28-13)35-11-22(23,24)25/h4-5,8-10,14H,6-7,11H2,1-3H3,(H2,26,27)(H,30,33).
What are the key properties of tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate?
tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate has a molecular weight of 507.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[6-[5-amino-6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]azetidine-1-carboxylate is sourced from PubChem (CID 59251901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).