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

C26H19FN4O2 — CID 67223734

IUPACmethyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)c(F)c1
InChIInChI=1S/C26H19FN4O2/c1-33-24(32)17-4-6-20(21(27)12-17)18-13-29-25-30-14-23(31(25)15-18)26(8-9-26)19-5-7-22-16(11-19)3-2-10-28-22/h2-7,10-15H,8-9H2,1H3
InChIKeyNCDWAKVIKXSEBF-UHFFFAOYSA-N
MW438.46 g/mol
LogP4.95
Rot. Bonds4

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

methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate (PubChem CID 67223734) has the molecular formula C26H19FN4O2 and a molecular weight of 438.46 g/mol. Its IUPAC name is methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate
PubChem CID67223734
Molecular FormulaC26H19FN4O2
Molecular Weight438.46 g/mol
Exact Mass438.15
IUPAC Namemethyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)c(F)c1
InChIInChI=1S/C26H19FN4O2/c1-33-24(32)17-4-6-20(21(27)12-17)18-13-29-25-30-14-23(31(25)15-18)26(8-9-26)19-5-7-22-16(11-19)3-2-10-28-22/h2-7,10-15H,8-9H2,1H3
InChIKeyNCDWAKVIKXSEBF-UHFFFAOYSA-N
XLogP4.95
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate?
The IUPAC name of methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate (CID 67223734) is methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate.
What is the SMILES notation for methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate?
The canonical SMILES for methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate is COC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)c(F)c1.
What is the InChIKey of methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate?
The InChIKey is NCDWAKVIKXSEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O2/c1-33-24(32)17-4-6-20(21(27)12-17)18-13-29-25-30-14-23(31(25)15-18)26(8-9-26)19-5-7-22-16(11-19)3-2-10-28-22/h2-7,10-15H,8-9H2,1H3.
What are the key properties of methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate?
methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate has a molecular weight of 438.46 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate is sourced from PubChem (CID 67223734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).