ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate

C25H24N4O2 — CID 71657175

IUPACethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate
SMILESCCOC(=O)c1cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2cn1
InChIInChI=1S/C25H24N4O2/c1-2-31-24(30)20-16-29-21(15-27-20)28-22(23(29)18-7-4-3-5-8-18)17-9-11-19(12-10-17)25(26)13-6-14-25/h3-5,7-12,15-16H,2,6,13-14,26H2,1H3
InChIKeyPNIPDZDFPOPOTG-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.58
Rot. Bonds5

About ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate

ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate (PubChem CID 71657175) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate
PubChem CID71657175
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Nameethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate
SMILESCCOC(=O)c1cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2cn1
InChIInChI=1S/C25H24N4O2/c1-2-31-24(30)20-16-29-21(15-27-20)28-22(23(29)18-7-4-3-5-8-18)17-9-11-19(12-10-17)25(26)13-6-14-25/h3-5,7-12,15-16H,2,6,13-14,26H2,1H3
InChIKeyPNIPDZDFPOPOTG-UHFFFAOYSA-N
XLogP4.58
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate (CID 71657175) is ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate is CCOC(=O)c1cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2cn1.
What is the InChIKey of ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is PNIPDZDFPOPOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-2-31-24(30)20-16-29-21(15-27-20)28-22(23(29)18-7-4-3-5-8-18)17-9-11-19(12-10-17)25(26)13-6-14-25/h3-5,7-12,15-16H,2,6,13-14,26H2,1H3.
What are the key properties of ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate?
ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 412.49 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 71657175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).