1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone

C20H22F2N4O3 — CID 164983084

IUPAC1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCCOc1cc2nc(CC3CCOC3)cn2cc1CC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C20H22F2N4O3/c1-2-29-18-9-19-23-15(7-13-4-6-28-12-13)11-25(19)10-14(18)8-17(27)16-3-5-26(24-16)20(21)22/h3,5,9-11,13,20H,2,4,6-8,12H2,1H3
InChIKeyFTRIJMWIOCMUBE-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.33
Rot. Bonds8

About 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone

1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 164983084) has the molecular formula C20H22F2N4O3 and a molecular weight of 404.42 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID164983084
Molecular FormulaC20H22F2N4O3
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Name1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCCOc1cc2nc(CC3CCOC3)cn2cc1CC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C20H22F2N4O3/c1-2-29-18-9-19-23-15(7-13-4-6-28-12-13)11-25(19)10-14(18)8-17(27)16-3-5-26(24-16)20(21)22/h3,5,9-11,13,20H,2,4,6-8,12H2,1H3
InChIKeyFTRIJMWIOCMUBE-UHFFFAOYSA-N
XLogP3.33
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone (CID 164983084) is 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone is CCOc1cc2nc(CC3CCOC3)cn2cc1CC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is FTRIJMWIOCMUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O3/c1-2-29-18-9-19-23-15(7-13-4-6-28-12-13)11-25(19)10-14(18)8-17(27)16-3-5-26(24-16)20(21)22/h3,5,9-11,13,20H,2,4,6-8,12H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 404.42 g/mol, XLogP of 3.33, 8 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-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 164983084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).