1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone

C22H23F2N3O3 — CID 164969657

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCCOC3)nc12
InChIInChI=1S/C22H23F2N3O3/c1-2-30-20-10-14(9-19(28)16-6-3-7-17(25-16)21(23)24)11-27-12-18(26-22(20)27)15-5-4-8-29-13-15/h3,6-7,10-12,15,21H,2,4-5,8-9,13H2,1H3
InChIKeyCYGWWIIQZZIKPI-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.39
Rot. Bonds7

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 164969657) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID164969657
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCCOC3)nc12
InChIInChI=1S/C22H23F2N3O3/c1-2-30-20-10-14(9-19(28)16-6-3-7-17(25-16)21(23)24)11-27-12-18(26-22(20)27)15-5-4-8-29-13-15/h3,6-7,10-12,15,21H,2,4-5,8-9,13H2,1H3
InChIKeyCYGWWIIQZZIKPI-UHFFFAOYSA-N
XLogP4.39
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
4-(Imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde
CID 739244
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 16318785
Ethyl 2,3-dimethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxylate
CID 9946403
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methoxy-2-pyridyl)benzamide
CID 45273642
(1H-benzo[d]imidazol-2-yl)(4-(3-(2-(trifluoromethyl)pyridin-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 46207696
1H-benzimidazol-2-yl-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208073
(1-methyl-1H-benzo[d]imidazol-2-yl)(4-(3-morpholinopyrazin-2-yloxy)phenyl)methanone
CID 59351424
(20R)-23-amino-17-fluoro-5,12,20-trimethyl-21-oxa-3,7,9,12,24-pentazapentacyclo[20.3.1.02,10.03,8.014,19]hexacosa-1(26),2(10),4,6,8,14(19),15,17,22,24-decaen-13-one
CID 89808125
(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
(1-methyl-1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yloxy)phenyl)methanone
CID 59326816

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (CID 164969657) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is CCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCCOC3)nc12.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is CYGWWIIQZZIKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-2-30-20-10-14(9-19(28)16-6-3-7-17(25-16)21(23)24)11-27-12-18(26-22(20)27)15-5-4-8-29-13-15/h3,6-7,10-12,15,21H,2,4-5,8-9,13H2,1H3.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-ethoxy-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 415.44 g/mol, XLogP of 4.39, 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-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 164969657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).