1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone

C21H20F3N3O3 — CID 164966985

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2c(F)c(C3CCOCC3)nc12
InChIInChI=1S/C21H20F3N3O3/c1-29-17-10-12(9-16(28)14-3-2-4-15(25-14)19(22)23)11-27-20(24)18(26-21(17)27)13-5-7-30-8-6-13/h2-4,10-11,13,19H,5-9H2,1H3
InChIKeyOKYWMSLOHQZHIQ-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.13
Rot. Bonds6

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 164966985) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID164966985
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2c(F)c(C3CCOCC3)nc12
InChIInChI=1S/C21H20F3N3O3/c1-29-17-10-12(9-16(28)14-3-2-4-15(25-14)19(22)23)11-27-20(24)18(26-21(17)27)13-5-7-30-8-6-13/h2-4,10-11,13,19H,5-9H2,1H3
InChIKeyOKYWMSLOHQZHIQ-UHFFFAOYSA-N
XLogP4.13
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
(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-(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
[4-[[3-(4-Fluorooxan-4-yl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
CID 59326827

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (CID 164966985) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-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-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is COc1cc(CC(=O)c2cccc(C(F)F)n2)cn2c(F)c(C3CCOCC3)nc12.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is OKYWMSLOHQZHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-29-17-10-12(9-16(28)14-3-2-4-15(25-14)19(22)23)11-27-20(24)18(26-21(17)27)13-5-7-30-8-6-13/h2-4,10-11,13,19H,5-9H2,1H3.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 419.40 g/mol, XLogP of 4.13, 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-[3-fluoro-8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 164966985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).