tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate

C26H36N6O4 — CID 164908486

IUPACtert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1.CCOC(=O)c1cn2cc(-c3ccncc3)nc(N)c2n1
InChIInChI=1S/C14H13N5O2.C12H23NO2/c1-2-21-14(20)11-8-19-7-10(9-3-5-16-6-4-9)17-12(15)13(19)18-11;1-12(2,3)15-11(14)13-9-10-7-5-4-6-8-10/h3-8H,2H2,1H3,(H2,15,17);10H,4-9H2,1-3H3,(H,13,14)
InChIKeyBYHKTMGBBBLMBE-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.64
Rot. Bonds5

About tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate

tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 164908486) has the molecular formula C26H36N6O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID164908486
Molecular FormulaC26H36N6O4
Molecular Weight496.61 g/mol
Exact Mass496.28
IUPAC Nametert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1.CCOC(=O)c1cn2cc(-c3ccncc3)nc(N)c2n1
InChIInChI=1S/C14H13N5O2.C12H23NO2/c1-2-21-14(20)11-8-19-7-10(9-3-5-16-6-4-9)17-12(15)13(19)18-11;1-12(2,3)15-11(14)13-9-10-7-5-4-6-8-10/h3-8H,2H2,1H3,(H2,15,17);10H,4-9H2,1-3H3,(H,13,14)
InChIKeyBYHKTMGBBBLMBE-UHFFFAOYSA-N
XLogP4.64
TPSA133.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate (CID 164908486) is tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate is CC(C)(C)OC(=O)NCC1CCCCC1.CCOC(=O)c1cn2cc(-c3ccncc3)nc(N)c2n1.
What is the InChIKey of tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is BYHKTMGBBBLMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2.C12H23NO2/c1-2-21-14(20)11-8-19-7-10(9-3-5-16-6-4-9)17-12(15)13(19)18-11;1-12(2,3)15-11(14)13-9-10-7-5-4-6-8-10/h3-8H,2H2,1H3,(H2,15,17);10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?
tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 496.61 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 164908486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).