1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one

C26H25F2N3O4 — CID 147791374

IUPAC1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(C)(CO)c1ccnc(CO)c1
InChIInChI=1S/C26H25F2N3O4/c1-16-24(22(34)12-26(2,15-33)17-8-9-29-18(11-17)13-32)31-10-4-7-23(25(31)30-16)35-14-19-20(27)5-3-6-21(19)28/h3-11,32-33H,12-15H2,1-2H3
InChIKeyHJRXQZXBPFBOBP-UHFFFAOYSA-N
MW481.50 g/mol
LogP3.91
Rot. Bonds9

About 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one (PubChem CID 147791374) has the molecular formula C26H25F2N3O4 and a molecular weight of 481.50 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one
PubChem CID147791374
Molecular FormulaC26H25F2N3O4
Molecular Weight481.50 g/mol
Exact Mass481.18
IUPAC Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(C)(CO)c1ccnc(CO)c1
InChIInChI=1S/C26H25F2N3O4/c1-16-24(22(34)12-26(2,15-33)17-8-9-29-18(11-17)13-32)31-10-4-7-23(25(31)30-16)35-14-19-20(27)5-3-6-21(19)28/h3-11,32-33H,12-15H2,1-2H3
InChIKeyHJRXQZXBPFBOBP-UHFFFAOYSA-N
XLogP3.91
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[4-(hydroxymethyl)phenyl]-3-methylbutan-1-one
CID 157199247
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-3-ylbutan-1-one
CID 146970344
ethyl 4-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-methyl-4-oxo-2-pyrimidin-5-ylbutanoate
CID 162171307
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)hexan-1-one
CID 147859544
methyl 3-[(2R)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoate
CID 118321164
8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090956
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 161238104
methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 90090885
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268093
8-[(2,6-difluorophenyl)methoxy]-N-[1-hydroxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118321207
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxybutyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90135188

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one?
The IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one (CID 147791374) is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one?
The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(C)(CO)c1ccnc(CO)c1.
What is the InChIKey of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one?
The InChIKey is HJRXQZXBPFBOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O4/c1-16-24(22(34)12-26(2,15-33)17-8-9-29-18(11-17)13-32)31-10-4-7-23(25(31)30-16)35-14-19-20(27)5-3-6-21(19)28/h3-11,32-33H,12-15H2,1-2H3.
What are the key properties of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one?
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one has a molecular weight of 481.50 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one is sourced from PubChem (CID 147791374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).