1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane

C26H31FN2O4 — CID 155727397

IUPAC1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane
SMILESCC1CC1.CCC(=O)c1c(OC)cc(-c2cnc3cc(C4COC4)ccn23)cc1OC(C)F
InChIInChI=1S/C22H23FN2O4.C4H8/c1-4-18(26)22-19(27-3)7-15(8-20(22)29-13(2)23)17-10-24-21-9-14(5-6-25(17)21)16-11-28-12-16;1-4-2-3-4/h5-10,13,16H,4,11-12H2,1-3H3;4H,2-3H2,1H3
InChIKeyQUMXFGYAUBEJOW-UHFFFAOYSA-N
MW454.54 g/mol
LogP5.83
Rot. Bonds7

About 1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane

1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane (PubChem CID 155727397) has the molecular formula C26H31FN2O4 and a molecular weight of 454.54 g/mol. Its IUPAC name is 1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane.

Molecular Properties

Compound Name1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane
PubChem CID155727397
Molecular FormulaC26H31FN2O4
Molecular Weight454.54 g/mol
Exact Mass454.23
IUPAC Name1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane
SMILESCC1CC1.CCC(=O)c1c(OC)cc(-c2cnc3cc(C4COC4)ccn23)cc1OC(C)F
InChIInChI=1S/C22H23FN2O4.C4H8/c1-4-18(26)22-19(27-3)7-15(8-20(22)29-13(2)23)17-10-24-21-9-14(5-6-25(17)21)16-11-28-12-16;1-4-2-3-4/h5-10,13,16H,4,11-12H2,1-3H3;4H,2-3H2,1H3
InChIKeyQUMXFGYAUBEJOW-UHFFFAOYSA-N
XLogP5.83
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.54
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane?
The IUPAC name of 1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane (CID 155727397) is 1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane.
What is the SMILES notation for 1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane?
The canonical SMILES for 1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane is CC1CC1.CCC(=O)c1c(OC)cc(-c2cnc3cc(C4COC4)ccn23)cc1OC(C)F.
What is the InChIKey of 1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane?
The InChIKey is QUMXFGYAUBEJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4.C4H8/c1-4-18(26)22-19(27-3)7-15(8-20(22)29-13(2)23)17-10-24-21-9-14(5-6-25(17)21)16-11-28-12-16;1-4-2-3-4/h5-10,13,16H,4,11-12H2,1-3H3;4H,2-3H2,1H3.
What are the key properties of 1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane?
1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane has a molecular weight of 454.54 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-fluoroethoxy)-6-methoxy-4-[7-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]propan-1-one;methylcyclopropane is sourced from PubChem (CID 155727397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).