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

C25H23F2N3O3 — CID 147541497

IUPAC1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-1-one
SMILESCc1ccc(C(CO)CC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)cn1
InChIInChI=1S/C25H23F2N3O3/c1-15-8-9-17(12-28-15)18(13-31)11-22(32)24-16(2)29-25-23(7-4-10-30(24)25)33-14-19-20(26)5-3-6-21(19)27/h3-10,12,18,31H,11,13-14H2,1-2H3
InChIKeyFOZSTZUFVLXFEZ-UHFFFAOYSA-N
MW451.47 g/mol
LogP4.55
Rot. Bonds8

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

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-1-one (PubChem CID 147541497) has the molecular formula C25H23F2N3O3 and a molecular weight of 451.47 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-1-one
PubChem CID147541497
Molecular FormulaC25H23F2N3O3
Molecular Weight451.47 g/mol
Exact Mass451.17
IUPAC Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-1-one
SMILESCc1ccc(C(CO)CC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)cn1
InChIInChI=1S/C25H23F2N3O3/c1-15-8-9-17(12-28-15)18(13-31)11-22(32)24-16(2)29-25-23(7-4-10-30(24)25)33-14-19-20(26)5-3-6-21(19)27/h3-10,12,18,31H,11,13-14H2,1-2H3
InChIKeyFOZSTZUFVLXFEZ-UHFFFAOYSA-N
XLogP4.55
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[6-(Cyclopropylmethoxy)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxocinnolin-3-yl]propanoic acid
CID 151463815
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 38
CID 5330617
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
Ethyl 2,3-dimethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxylate
CID 9946403
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide
CID 10247814
(12S)-N,N,4,5-tetramethyl-12-(2-methylphenyl)-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11245432
(12S)-N,N,4,5-tetramethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11450928
(12S)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11485439
N,N,2,3-Tetramethyl-9-(2-methylphenyl)-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23729812
9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23729813
N,N,2,3-Tetramethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23730168

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-(6-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-1-one (CID 147541497) is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-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-(6-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-1-one is Cc1ccc(C(CO)CC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)cn1.
What is the InChIKey of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-1-one?
The InChIKey is FOZSTZUFVLXFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O3/c1-15-8-9-17(12-28-15)18(13-31)11-22(32)24-16(2)29-25-23(7-4-10-30(24)25)33-14-19-20(26)5-3-6-21(19)27/h3-10,12,18,31H,11,13-14H2,1-2H3.
What are the key properties of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-1-one?
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-1-one has a molecular weight of 451.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-(6-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 147541497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).