1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone

C21H21F2N3O3 — CID 164966984

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C21H21F2N3O3/c1-28-19-10-13(9-18(27)15-3-2-4-16(24-15)20(22)23)11-26-12-17(25-21(19)26)14-5-7-29-8-6-14/h2-4,10-12,14,20H,5-9H2,1H3
InChIKeyMDAXRFPYHWBGTB-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.99
Rot. Bonds6

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 164966984) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID164966984
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C21H21F2N3O3/c1-28-19-10-13(9-18(27)15-3-2-4-16(24-15)20(22)23)11-26-12-17(25-21(19)26)14-5-7-29-8-6-14/h2-4,10-12,14,20H,5-9H2,1H3
InChIKeyMDAXRFPYHWBGTB-UHFFFAOYSA-N
XLogP3.99
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.99
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
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
4-(Imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde
CID 739244
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methoxy-2-pyridyl)benzamide
CID 45273642
6-(6-Methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57390432
2-(4-Piperidin-1-ylpiperidin-1-yl)-6-[6-(trifluoromethyl)pyridin-2-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 57402708
(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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (CID 164966984) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is COc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is MDAXRFPYHWBGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c1-28-19-10-13(9-18(27)15-3-2-4-16(24-15)20(22)23)11-26-12-17(25-21(19)26)14-5-7-29-8-6-14/h2-4,10-12,14,20H,5-9H2,1H3.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 401.41 g/mol, XLogP of 3.99, 6 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-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 164966984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).