1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine

C15H13F2N3O — CID 63269750

IUPAC1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2cc(F)ccc2F)nc2ccccn12
InChIInChI=1S/C15H13F2N3O/c1-18-9-12-15(19-14-4-2-3-7-20(12)14)21-13-8-10(16)5-6-11(13)17/h2-8,18H,9H2,1H3
InChIKeyIXMFEBIQRNHNFC-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.12
Rot. Bonds4

About 1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine

1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (PubChem CID 63269750) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
PubChem CID63269750
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1c(Oc2cc(F)ccc2F)nc2ccccn12
InChIInChI=1S/C15H13F2N3O/c1-18-9-12-15(19-14-4-2-3-7-20(12)14)21-13-8-10(16)5-6-11(13)17/h2-8,18H,9H2,1H3
InChIKeyIXMFEBIQRNHNFC-UHFFFAOYSA-N
XLogP3.12
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (CID 63269750) is 1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is CNCc1c(Oc2cc(F)ccc2F)nc2ccccn12.
What is the InChIKey of 1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is IXMFEBIQRNHNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c1-18-9-12-15(19-14-4-2-3-7-20(12)14)21-13-8-10(16)5-6-11(13)17/h2-8,18H,9H2,1H3.
What are the key properties of 1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 289.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63269750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).