3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine

C62H58FN11O7 — CID 118165910

IUPAC3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(F)cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc12.Cc1ccc2nc(-c3cc4ccc(O[C@@H]5CCNC5)cc4oc3=O)cn2c1.Cc1cnc2nc(C3=Cc4ccc(O[C@@H]5CCNC5)cc4OC3)cn2c1
InChIInChI=1S/C21H19FN4O2.C21H19N3O3.C20H20N4O2/c1-13-8-15(22)11-26-12-18(24-20(13)26)17-9-14-2-3-16(10-19(14)28-21(17)27)25-6-4-23-5-7-25;1-13-2-5-20-23-18(12-24(20)11-13)17-8-14-3-4-15(9-19(14)27-21(17)25)26-16-6-7-22-10-16;1-13-8-22-20-23-18(11-24(20)10-13)15-6-14-2-3-16(7-19(14)25-12-15)26-17-4-5-21-9-17/h2-3,8-12,23H,4-7H2,1H3;2-5,8-9,11-12,16,22H,6-7,10H2,1H3;2-3,6-8,10-11,17,21H,4-5,9,12H2,1H3/t;16-;17-/m.11/s1
InChIKeyZTDVVOWOJOBRJL-LTEPGDHXSA-N
MW1088.21 g/mol
LogP8.83
Rot. Bonds8

About 3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine

3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine (PubChem CID 118165910) has the molecular formula C62H58FN11O7 and a molecular weight of 1088.21 g/mol. Its IUPAC name is 3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine
PubChem CID118165910
Molecular FormulaC62H58FN11O7
Molecular Weight1088.21 g/mol
Exact Mass1087.45
IUPAC Name3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(F)cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc12.Cc1ccc2nc(-c3cc4ccc(O[C@@H]5CCNC5)cc4oc3=O)cn2c1.Cc1cnc2nc(C3=Cc4ccc(O[C@@H]5CCNC5)cc4OC3)cn2c1
InChIInChI=1S/C21H19FN4O2.C21H19N3O3.C20H20N4O2/c1-13-8-15(22)11-26-12-18(24-20(13)26)17-9-14-2-3-16(10-19(14)28-21(17)27)25-6-4-23-5-7-25;1-13-2-5-20-23-18(12-24(20)11-13)17-8-14-3-4-15(9-19(14)27-21(17)25)26-16-6-7-22-10-16;1-13-8-22-20-23-18(11-24(20)10-13)15-6-14-2-3-16(7-19(14)25-12-15)26-17-4-5-21-9-17/h2-3,8-12,23H,4-7H2,1H3;2-5,8-9,11-12,16,22H,6-7,10H2,1H3;2-3,6-8,10-11,17,21H,4-5,9,12H2,1H3/t;16-;17-/m.11/s1
InChIKeyZTDVVOWOJOBRJL-LTEPGDHXSA-N
XLogP8.83
TPSA192.23 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001088.21
LogP ≤ 58.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine (CID 118165910) is 3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine is Cc1cc(F)cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc12.Cc1ccc2nc(-c3cc4ccc(O[C@@H]5CCNC5)cc4oc3=O)cn2c1.Cc1cnc2nc(C3=Cc4ccc(O[C@@H]5CCNC5)cc4OC3)cn2c1.
What is the InChIKey of 3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is ZTDVVOWOJOBRJL-LTEPGDHXSA-N. The full InChI is InChI=1S/C21H19FN4O2.C21H19N3O3.C20H20N4O2/c1-13-8-15(22)11-26-12-18(24-20(13)26)17-9-14-2-3-16(10-19(14)28-21(17)27)25-6-4-23-5-7-25;1-13-2-5-20-23-18(12-24(20)11-13)17-8-14-3-4-15(9-19(14)27-21(17)25)26-16-6-7-22-10-16;1-13-8-22-20-23-18(11-24(20)10-13)15-6-14-2-3-16(7-19(14)25-12-15)26-17-4-5-21-9-17/h2-3,8-12,23H,4-7H2,1H3;2-5,8-9,11-12,16,22H,6-7,10H2,1H3;2-3,6-8,10-11,17,21H,4-5,9,12H2,1H3/t;16-;17-/m.11/s1.
What are the key properties of 3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine?
3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 1088.21 g/mol, XLogP of 8.83, 8 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3R)-pyrrolidin-3-yl]oxychromen-2-one;6-methyl-2-[7-[(3R)-pyrrolidin-3-yl]oxy-2H-chromen-3-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 118165910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).