8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid

C20H19F2N3O4 — CID 86718170

IUPAC8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(N3CCOCC3)cn2c1C(=O)O
InChIInChI=1S/C20H19F2N3O4/c1-12-18(20(26)27)25-10-13(24-5-7-28-8-6-24)9-17(19(25)23-12)29-11-14-15(21)3-2-4-16(14)22/h2-4,9-10H,5-8,11H2,1H3,(H,26,27)
InChIKeyKNUWMPNGFXKXGS-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.03
Rot. Bonds5

About 8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid

8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 86718170) has the molecular formula C20H19F2N3O4 and a molecular weight of 403.39 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID86718170
Molecular FormulaC20H19F2N3O4
Molecular Weight403.39 g/mol
Exact Mass403.13
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(N3CCOCC3)cn2c1C(=O)O
InChIInChI=1S/C20H19F2N3O4/c1-12-18(20(26)27)25-10-13(24-5-7-28-8-6-24)9-17(19(25)23-12)29-11-14-15(21)3-2-4-16(14)22/h2-4,9-10H,5-8,11H2,1H3,(H,26,27)
InChIKeyKNUWMPNGFXKXGS-UHFFFAOYSA-N
XLogP3.03
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 86718170) is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1nc2c(OCc3c(F)cccc3F)cc(N3CCOCC3)cn2c1C(=O)O.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is KNUWMPNGFXKXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4/c1-12-18(20(26)27)25-10-13(24-5-7-28-8-6-24)9-17(19(25)23-12)29-11-14-15(21)3-2-4-16(14)22/h2-4,9-10H,5-8,11H2,1H3,(H,26,27).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid?
8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 403.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 86718170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).