3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one

C28H22FN5O2 — CID 25145094

IUPAC3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C28H22FN5O2/c29-23-13-18(3-4-20(23)16-33-10-11-36-27(33)35)21-14-31-26-32-15-25(34(26)17-21)28(7-8-28)22-5-6-24-19(12-22)2-1-9-30-24/h1-6,9,12-15,17H,7-8,10-11,16H2
InChIKeyKTVZSNJOXBWQPH-UHFFFAOYSA-N
MW479.52 g/mol
LogP5.12
Rot. Bonds5

About 3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one

3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 25145094) has the molecular formula C28H22FN5O2 and a molecular weight of 479.52 g/mol. Its IUPAC name is 3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID25145094
Molecular FormulaC28H22FN5O2
Molecular Weight479.52 g/mol
Exact Mass479.18
IUPAC Name3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C28H22FN5O2/c29-23-13-18(3-4-20(23)16-33-10-11-36-27(33)35)21-14-31-26-32-15-25(34(26)17-21)28(7-8-28)22-5-6-24-19(12-22)2-1-9-30-24/h1-6,9,12-15,17H,7-8,10-11,16H2
InChIKeyKTVZSNJOXBWQPH-UHFFFAOYSA-N
XLogP5.12
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one (CID 25145094) is 3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one is O=C1OCCN1Cc1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F.
What is the InChIKey of 3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is KTVZSNJOXBWQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5O2/c29-23-13-18(3-4-20(23)16-33-10-11-36-27(33)35)21-14-31-26-32-15-25(34(26)17-21)28(7-8-28)22-5-6-24-19(12-22)2-1-9-30-24/h1-6,9,12-15,17H,7-8,10-11,16H2.
What are the key properties of 3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one?
3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 479.52 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25145094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).