1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine

C25H25N3O — CID 56646650

IUPAC1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
SMILESCOCc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1
InChIInChI=1S/C25H25N3O/c1-29-17-18-8-13-22-27-23(24(28(22)16-18)20-6-3-2-4-7-20)19-9-11-21(12-10-19)25(26)14-5-15-25/h2-4,6-13,16H,5,14-15,17,26H2,1H3
InChIKeyURLXVJBLJIEHQN-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.15
Rot. Bonds5

About 1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine

1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine (PubChem CID 56646650) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
PubChem CID56646650
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
SMILESCOCc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1
InChIInChI=1S/C25H25N3O/c1-29-17-18-8-13-22-27-23(24(28(22)16-18)20-6-3-2-4-7-20)19-9-11-21(12-10-19)25(26)14-5-15-25/h2-4,6-13,16H,5,14-15,17,26H2,1H3
InChIKeyURLXVJBLJIEHQN-UHFFFAOYSA-N
XLogP5.15
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine (CID 56646650) is 1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine is COCc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1.
What is the InChIKey of 1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
The InChIKey is URLXVJBLJIEHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-29-17-18-8-13-22-27-23(24(28(22)16-18)20-6-3-2-4-7-20)19-9-11-21(12-10-19)25(26)14-5-15-25/h2-4,6-13,16H,5,14-15,17,26H2,1H3.
What are the key properties of 1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine?
1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine has a molecular weight of 383.50 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(methoxymethyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 56646650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).