1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone

C22H21F2N3O3 — CID 164953820

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3C4COC[C@H]43)nc12
InChIInChI=1S/C22H21F2N3O3/c1-2-30-19-7-12(6-18(28)15-4-3-5-16(25-15)21(23)24)8-27-9-17(26-22(19)27)20-13-10-29-11-14(13)20/h3-5,7-9,13-14,20-21H,2,6,10-11H2,1H3/t13-,14?,20?/m1/s1
InChIKeyAWXWSBFKGQDUCO-WCGZIJFHSA-N
MW413.42 g/mol
LogP3.85
Rot. Bonds7

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 164953820) has the molecular formula C22H21F2N3O3 and a molecular weight of 413.42 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID164953820
Molecular FormulaC22H21F2N3O3
Molecular Weight413.42 g/mol
Exact Mass413.16
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3C4COC[C@H]43)nc12
InChIInChI=1S/C22H21F2N3O3/c1-2-30-19-7-12(6-18(28)15-4-3-5-16(25-15)21(23)24)8-27-9-17(26-22(19)27)20-13-10-29-11-14(13)20/h3-5,7-9,13-14,20-21H,2,6,10-11H2,1H3/t13-,14?,20?/m1/s1
InChIKeyAWXWSBFKGQDUCO-WCGZIJFHSA-N
XLogP3.85
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone with MolForge

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Related Compounds

N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methoxy-2-pyridyl)benzamide
CID 45273642
4-(2-Furyl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
CID 52943875
(1-methyl-1H-benzo[d]imidazol-2-yl)(4-(3-morpholinopyrazin-2-yloxy)phenyl)methanone
CID 59351424
3-Cyclopropyl-6-fluoro-2-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 71535398
(4,4-Difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyridin-5-ylmethanone
CID 118504517
(4-(3'-Methoxy-3,4'-bipyridin-2-yloxy)phenyl)(1-methyl-1h-benzo[d]imidazol-2-yl)methanone
CID 46214213
[4-[[3-(4-Fluorooxan-4-yl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
CID 59326827
(5-Fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327061
N-[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-(methylamino)propanoylamino]-2-pyridinyl]-5-methoxypyridine-2-carboxamide
CID 117902661
6-(difluoromethyl)-N-[7-ethoxy-2-[[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655942
N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 46943153
N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide
CID 46948161

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone (CID 164953820) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone is CCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3C4COC[C@H]43)nc12.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is AWXWSBFKGQDUCO-WCGZIJFHSA-N. The full InChI is InChI=1S/C22H21F2N3O3/c1-2-30-19-7-12(6-18(28)15-4-3-5-16(25-15)21(23)24)8-27-9-17(26-22(19)27)20-13-10-29-11-14(13)20/h3-5,7-9,13-14,20-21H,2,6,10-11H2,1H3/t13-,14?,20?/m1/s1.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 413.42 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-[(5S)-3-oxabicyclo[3.1.0]hexan-6-yl]imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 164953820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).