1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone

C21H24F2N4O3 — CID 164991172

IUPAC1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCC(C)Oc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C21H24F2N4O3/c1-13(2)30-19-10-20-24-17(14-4-7-29-8-5-14)12-26(20)11-15(19)9-18(28)16-3-6-27(25-16)21(22)23/h3,6,10-14,21H,4-5,7-9H2,1-2H3
InChIKeyGWHIIWLAECCIQQ-UHFFFAOYSA-N
MW418.44 g/mol
LogP4.03
Rot. Bonds7

About 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone

1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 164991172) has the molecular formula C21H24F2N4O3 and a molecular weight of 418.44 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID164991172
Molecular FormulaC21H24F2N4O3
Molecular Weight418.44 g/mol
Exact Mass418.18
IUPAC Name1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCC(C)Oc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C21H24F2N4O3/c1-13(2)30-19-10-20-24-17(14-4-7-29-8-5-14)12-26(20)11-15(19)9-18(28)16-3-6-27(25-16)21(22)23/h3,6,10-14,21H,4-5,7-9H2,1-2H3
InChIKeyGWHIIWLAECCIQQ-UHFFFAOYSA-N
XLogP4.03
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-methylpyrazol-3-yl)-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164993715
1-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-4-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 165089165
1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164983084
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164961282
N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 154655076
N-[1-(difluoromethyl)pyrazol-3-yl]-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155749135
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165046881
1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165097298
2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone
CID 164986455
2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyphenyl)ethanone
CID 165011161
2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
CID 164979534
6-(difluoromethyl)-N-[2-(oxolan-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655212

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone (CID 164991172) is 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone is CC(C)Oc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is GWHIIWLAECCIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O3/c1-13(2)30-19-10-20-24-17(14-4-7-29-8-5-14)12-26(20)11-15(19)9-18(28)16-3-6-27(25-16)21(22)23/h3,6,10-14,21H,4-5,7-9H2,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone?
1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 418.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 164991172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).