1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one

C22H22F2N4O3 — CID 165085860

IUPAC1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one
SMILESCCOc1cc2nc(CN3CCCC3=O)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C22H22F2N4O3/c1-2-31-19-10-20-25-15(12-27-8-4-7-21(27)30)13-28(20)11-14(19)9-18(29)16-5-3-6-17(26-16)22(23)24/h3,5-6,10-11,13,22H,2,4,7-9,12H2,1H3
InChIKeyVWWSCYKYJZMXQW-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.61
Rot. Bonds8

About 1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one

1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one (PubChem CID 165085860) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is 1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one
PubChem CID165085860
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC Name1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one
SMILESCCOc1cc2nc(CN3CCCC3=O)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C22H22F2N4O3/c1-2-31-19-10-20-25-15(12-27-8-4-7-21(27)30)13-28(20)11-14(19)9-18(29)16-5-3-6-17(26-16)22(23)24/h3,5-6,10-11,13,22H,2,4,7-9,12H2,1H3
InChIKeyVWWSCYKYJZMXQW-UHFFFAOYSA-N
XLogP3.61
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 165017034
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165007665
6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxy-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;ethyl 6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridine-2-carboxylate
CID 164982291
2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
CID 164979534
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164977707
methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 154655144
2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone
CID 164986455
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 165070784
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165046881
1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164983084
1-(3,4-dihydro-1H-isochromen-6-yl)-2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)ethanone
CID 165107495
6-(difluoromethyl)-N-[7-ethoxy-2-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;methyl 1-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 164993718

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one (CID 165085860) is 1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one is CCOc1cc2nc(CN3CCCC3=O)cn2cc1CC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is VWWSCYKYJZMXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-2-31-19-10-20-25-15(12-27-8-4-7-21(27)30)13-28(20)11-14(19)9-18(29)16-5-3-6-17(26-16)22(23)24/h3,5-6,10-11,13,22H,2,4,7-9,12H2,1H3.
What are the key properties of 1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one?
1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 428.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 165085860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).