[2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

C68H74BrCl3N10O9 — CID 158526067

IUPAC[2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(Br)c(N4CCOCC4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3cc(C4=CCCCC4)c(N4CCOCC4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3cc(C4=CCNCC4)c(N4CCOCC4)cc3n2)cc1Cl
InChIInChI=1S/C25H28ClN3O3.C24H27ClN4O3.C19H19BrClN3O3/c1-31-24-11-18(16-30)19(12-21(24)26)22-15-29-14-20(17-5-3-2-4-6-17)23(13-25(29)27-22)28-7-9-32-10-8-28;1-31-23-10-17(15-30)18(11-20(23)25)21-14-29-13-19(16-2-4-26-5-3-16)22(12-24(29)27-21)28-6-8-32-9-7-28;1-26-18-6-12(11-25)13(7-15(18)21)16-10-24-9-14(20)17(8-19(24)22-16)23-2-4-27-5-3-23/h5,11-15,30H,2-4,6-10,16H2,1H3;2,10-14,26,30H,3-9,15H2,1H3;6-10,25H,2-5,11H2,1H3
InChIKeyHMUJGURVDWZAKH-UHFFFAOYSA-N
MW1361.66 g/mol
LogP12.07
Rot. Bonds14

About [2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

[2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (PubChem CID 158526067) has the molecular formula C68H74BrCl3N10O9 and a molecular weight of 1361.66 g/mol. Its IUPAC name is [2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
PubChem CID158526067
Molecular FormulaC68H74BrCl3N10O9
Molecular Weight1361.66 g/mol
Exact Mass1358.39
IUPAC Name[2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3cc(Br)c(N4CCOCC4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3cc(C4=CCCCC4)c(N4CCOCC4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3cc(C4=CCNCC4)c(N4CCOCC4)cc3n2)cc1Cl
InChIInChI=1S/C25H28ClN3O3.C24H27ClN4O3.C19H19BrClN3O3/c1-31-24-11-18(16-30)19(12-21(24)26)22-15-29-14-20(17-5-3-2-4-6-17)23(13-25(29)27-22)28-7-9-32-10-8-28;1-31-23-10-17(15-30)18(11-20(23)25)21-14-29-13-19(16-2-4-26-5-3-16)22(12-24(29)27-21)28-6-8-32-9-7-28;1-26-18-6-12(11-25)13(7-15(18)21)16-10-24-9-14(20)17(8-19(24)22-16)23-2-4-27-5-3-23/h5,11-15,30H,2-4,6-10,16H2,1H3;2,10-14,26,30H,3-9,15H2,1H3;6-10,25H,2-5,11H2,1H3
InChIKeyHMUJGURVDWZAKH-UHFFFAOYSA-N
XLogP12.07
TPSA189.72 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms91
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001361.66
LogP ≤ 512.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze [2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The IUPAC name of [2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (CID 158526067) is [2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The canonical SMILES for [2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is COc1cc(CO)c(-c2cn3cc(Br)c(N4CCOCC4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3cc(C4=CCCCC4)c(N4CCOCC4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3cc(C4=CCNCC4)c(N4CCOCC4)cc3n2)cc1Cl.
What is the InChIKey of [2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The InChIKey is HMUJGURVDWZAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3.C24H27ClN4O3.C19H19BrClN3O3/c1-31-24-11-18(16-30)19(12-21(24)26)22-15-29-14-20(17-5-3-2-4-6-17)23(13-25(29)27-22)28-7-9-32-10-8-28;1-31-23-10-17(15-30)18(11-20(23)25)21-14-29-13-19(16-2-4-26-5-3-16)22(12-24(29)27-21)28-6-8-32-9-7-28;1-26-18-6-12(11-25)13(7-15(18)21)16-10-24-9-14(20)17(8-19(24)22-16)23-2-4-27-5-3-23/h5,11-15,30H,2-4,6-10,16H2,1H3;2,10-14,26,30H,3-9,15H2,1H3;6-10,25H,2-5,11H2,1H3.
What are the key properties of [2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
[2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol has a molecular weight of 1361.66 g/mol, XLogP of 12.07, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-bromo-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;[4-chloro-2-[6-(cyclohexen-1-yl)-7-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;[4-chloro-5-methoxy-2-[7-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is sourced from PubChem (CID 158526067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).