methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate

C26H25N3O3 — CID 56644406

IUPACmethyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1
InChIInChI=1S/C26H25N3O3/c1-31-21-15-19(25(30)32-2)16-29-23(18-7-4-3-5-8-18)22(28-24(21)29)17-9-11-20(12-10-17)26(27)13-6-14-26/h3-5,7-12,15-16H,6,13-14,27H2,1-2H3
InChIKeyCDOOEFFJOKTQAQ-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.80
Rot. Bonds5

About methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate

methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 56644406) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID56644406
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Namemethyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1
InChIInChI=1S/C26H25N3O3/c1-31-21-15-19(25(30)32-2)16-29-23(18-7-4-3-5-8-18)22(28-24(21)29)17-9-11-20(12-10-17)26(27)13-6-14-26/h3-5,7-12,15-16H,6,13-14,27H2,1-2H3
InChIKeyCDOOEFFJOKTQAQ-UHFFFAOYSA-N
XLogP4.80
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate (CID 56644406) is methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1.
What is the InChIKey of methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is CDOOEFFJOKTQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-31-21-15-19(25(30)32-2)16-29-23(18-7-4-3-5-8-18)22(28-24(21)29)17-9-11-20(12-10-17)26(27)13-6-14-26/h3-5,7-12,15-16H,6,13-14,27H2,1-2H3.
What are the key properties of methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 427.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 56644406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).