4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol

C49H58F6N10O3 — CID 145418363

IUPAC4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol
SMILESCc1c(Cn2c(CN3CC(O)C3)nc3cnc(N4CCOCC4)cc32)cccc1C(F)(F)F.Cc1c(Cn2c(CN3CCC(C)CC3)nc3cnc(N4CCOCC4)cc32)cccc1C(F)(F)F
InChIInChI=1S/C26H32F3N5O.C23H26F3N5O2/c1-18-6-8-32(9-7-18)17-25-31-22-15-30-24(33-10-12-35-13-11-33)14-23(22)34(25)16-20-4-3-5-21(19(20)2)26(27,28)29;1-15-16(3-2-4-18(15)23(24,25)26)11-31-20-9-21(30-5-7-33-8-6-30)27-10-19(20)28-22(31)14-29-12-17(32)13-29/h3-5,14-15,18H,6-13,16-17H2,1-2H3;2-4,9-10,17,32H,5-8,11-14H2,1H3
InChIKeyYRHKLLIFPPLSAT-UHFFFAOYSA-N
MW949.06 g/mol
LogP7.70
Rot. Bonds10

About 4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol

4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol (PubChem CID 145418363) has the molecular formula C49H58F6N10O3 and a molecular weight of 949.06 g/mol. Its IUPAC name is 4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol
PubChem CID145418363
Molecular FormulaC49H58F6N10O3
Molecular Weight949.06 g/mol
Exact Mass948.46
IUPAC Name4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol
SMILESCc1c(Cn2c(CN3CC(O)C3)nc3cnc(N4CCOCC4)cc32)cccc1C(F)(F)F.Cc1c(Cn2c(CN3CCC(C)CC3)nc3cnc(N4CCOCC4)cc32)cccc1C(F)(F)F
InChIInChI=1S/C26H32F3N5O.C23H26F3N5O2/c1-18-6-8-32(9-7-18)17-25-31-22-15-30-24(33-10-12-35-13-11-33)14-23(22)34(25)16-20-4-3-5-21(19(20)2)26(27,28)29;1-15-16(3-2-4-18(15)23(24,25)26)11-31-20-9-21(30-5-7-33-8-6-30)27-10-19(20)28-22(31)14-29-12-17(32)13-29/h3-5,14-15,18H,6-13,16-17H2,1-2H3;2-4,9-10,17,32H,5-8,11-14H2,1H3
InChIKeyYRHKLLIFPPLSAT-UHFFFAOYSA-N
XLogP7.70
TPSA113.07 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.06
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol with MolForge

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Related Compounds

4-[6-[4-[2-(3,4-Difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-yl]morpholine
CID 11454703
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
CID 10028665
1-(4-Benzhydrylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
CID 10097232
1-(4-Benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol
CID 10391554
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-(6-morpholin-4-yl-pyridin-3-yl)-pyrimidin-4-ylamine
CID 89445386
US10703755, Example 370
CID 132077099
US10703755, Example 443
CID 132077175
US10703755, Example 171
CID 132077311
US10703755, Example 315
CID 132077313
US10703755, Example 397
CID 132077314
US10703755, Example 396
CID 132077315
US10703755, Example 390
CID 138676772

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol?
The IUPAC name of 4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol (CID 145418363) is 4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol?
The canonical SMILES for 4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol is Cc1c(Cn2c(CN3CC(O)C3)nc3cnc(N4CCOCC4)cc32)cccc1C(F)(F)F.Cc1c(Cn2c(CN3CCC(C)CC3)nc3cnc(N4CCOCC4)cc32)cccc1C(F)(F)F.
What is the InChIKey of 4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol?
The InChIKey is YRHKLLIFPPLSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O.C23H26F3N5O2/c1-18-6-8-32(9-7-18)17-25-31-22-15-30-24(33-10-12-35-13-11-33)14-23(22)34(25)16-20-4-3-5-21(19(20)2)26(27,28)29;1-15-16(3-2-4-18(15)23(24,25)26)11-31-20-9-21(30-5-7-33-8-6-30)27-10-19(20)28-22(31)14-29-12-17(32)13-29/h3-5,14-15,18H,6-13,16-17H2,1-2H3;2-4,9-10,17,32H,5-8,11-14H2,1H3.
What are the key properties of 4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol?
4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol has a molecular weight of 949.06 g/mol, XLogP of 7.70, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylpiperidin-1-yl)methyl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]pyridin-6-yl]morpholine;1-[[1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 145418363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).