1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one

C25H23F2N3O4 — CID 147639793

IUPAC1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one
SMILESCc1nc2c(OCc3cccc(F)c3F)cccn2c1C(=O)CC(CO)(CO)c1ccccn1
InChIInChI=1S/C25H23F2N3O4/c1-16-23(19(33)12-25(14-31,15-32)21-9-2-3-10-28-21)30-11-5-8-20(24(30)29-16)34-13-17-6-4-7-18(26)22(17)27/h2-11,31-32H,12-15H2,1H3
InChIKeyGHJRBKHEDXYCQN-UHFFFAOYSA-N
MW467.47 g/mol
LogP3.39
Rot. Bonds9

About 1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one

1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one (PubChem CID 147639793) has the molecular formula C25H23F2N3O4 and a molecular weight of 467.47 g/mol. Its IUPAC name is 1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one
PubChem CID147639793
Molecular FormulaC25H23F2N3O4
Molecular Weight467.47 g/mol
Exact Mass467.17
IUPAC Name1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one
SMILESCc1nc2c(OCc3cccc(F)c3F)cccn2c1C(=O)CC(CO)(CO)c1ccccn1
InChIInChI=1S/C25H23F2N3O4/c1-16-23(19(33)12-25(14-31,15-32)21-9-2-3-10-28-21)30-11-5-8-20(24(30)29-16)34-13-17-6-4-7-18(26)22(17)27/h2-11,31-32H,12-15H2,1H3
InChIKeyGHJRBKHEDXYCQN-UHFFFAOYSA-N
XLogP3.39
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one (CID 147639793) is 1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one is Cc1nc2c(OCc3cccc(F)c3F)cccn2c1C(=O)CC(CO)(CO)c1ccccn1.
What is the InChIKey of 1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one?
The InChIKey is GHJRBKHEDXYCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O4/c1-16-23(19(33)12-25(14-31,15-32)21-9-2-3-10-28-21)30-11-5-8-20(24(30)29-16)34-13-17-6-4-7-18(26)22(17)27/h2-11,31-32H,12-15H2,1H3.
What are the key properties of 1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one?
1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one has a molecular weight of 467.47 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(2,3-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 147639793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).