1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone

C22H25F2N3O3 — CID 164977707

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCOCCCc1cn2cc(CC(=O)c3cccc(C(F)F)n3)c(OC(C)C)cc2n1
InChIInChI=1S/C22H25F2N3O3/c1-14(2)30-20-11-21-25-16(6-5-9-29-3)13-27(21)12-15(20)10-19(28)17-7-4-8-18(26-17)22(23)24/h4,7-8,11-14,22H,5-6,9-10H2,1-3H3
InChIKeyFAGDAEKUPVJIJE-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.46
Rot. Bonds10

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 164977707) has the molecular formula C22H25F2N3O3 and a molecular weight of 417.46 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID164977707
Molecular FormulaC22H25F2N3O3
Molecular Weight417.46 g/mol
Exact Mass417.19
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCOCCCc1cn2cc(CC(=O)c3cccc(C(F)F)n3)c(OC(C)C)cc2n1
InChIInChI=1S/C22H25F2N3O3/c1-14(2)30-20-11-21-25-16(6-5-9-29-3)13-27(21)12-15(20)10-19(28)17-7-4-8-18(26-17)22(23)24/h4,7-8,11-14,22H,5-6,9-10H2,1-3H3
InChIKeyFAGDAEKUPVJIJE-UHFFFAOYSA-N
XLogP4.46
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone (CID 164977707) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone is COCCCc1cn2cc(CC(=O)c3cccc(C(F)F)n3)c(OC(C)C)cc2n1.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is FAGDAEKUPVJIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O3/c1-14(2)30-20-11-21-25-16(6-5-9-29-3)13-27(21)12-15(20)10-19(28)17-7-4-8-18(26-17)22(23)24/h4,7-8,11-14,22H,5-6,9-10H2,1-3H3.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 417.46 g/mol, XLogP of 4.46, 10 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-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 164977707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).