[6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone

C161H208BrCl3F9N31O18 — CID 158666806

IUPAC[6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone
SMILESCOC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCC(c4ccc(C(F)(F)F)cc4)CC3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCC(c4cccc(C(F)(F)F)c4)CC3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCc4c(Cl)cc(Cl)cc4C3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCc4c(Cl)cccc4C3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCc4ncc(Br)cc4C3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3Cc4ccc(C(F)(F)F)cc4C3)c2C)CC1
InChIInChI=1S/2C29H38F3N5O3.C26H33Cl2N5O3.C26H34ClN5O3.C26H32F3N5O3.C25H33BrN6O3/c1-19-26(28(38)37-14-9-23(10-15-37)35-24-11-16-40-17-25(24)39-2)33-18-34-27(19)36-12-7-21(8-13-36)20-3-5-22(6-4-20)29(30,31)32;1-19-26(28(38)37-13-8-23(9-14-37)35-24-10-15-40-17-25(24)39-2)33-18-34-27(19)36-11-6-20(7-12-36)21-4-3-5-22(16-21)29(30,31)32;1-16-24(26(34)32-7-3-19(4-8-32)31-22-6-10-36-14-23(22)35-2)29-15-30-25(16)33-9-5-20-17(13-33)11-18(27)12-21(20)28;1-17-24(28-16-29-25(17)32-12-8-20-18(14-32)4-3-5-21(20)27)26(33)31-10-6-19(7-11-31)30-22-9-13-35-15-23(22)34-2;1-16-23(25(35)33-8-5-20(6-9-33)32-21-7-10-37-14-22(21)36-2)30-15-31-24(16)34-12-17-3-4-19(26(27,28)29)11-18(17)13-34;1-16-23(28-15-29-24(16)32-9-5-20-17(13-32)11-18(26)12-27-20)25(33)31-7-3-19(4-8-31)30-21-6-10-35-14-22(21)34-2/h3-6,18,21,23-25,35H,7-17H2,1-2H3;3-5,16,18,20,23-25,35H,6-15,17H2,1-2H3;11-12,15,19,22-23,31H,3-10,13-14H2,1-2H3;3-5,16,19,22-23,30H,6-15H2,1-2H3;3-4,11,15,20-22,32H,5-10,12-14H2,1-2H3;11-12,15,19,21-22,30H,3-10,13-14H2,1-2H3
InChIKeyIDLPRCMJPPAJQW-UHFFFAOYSA-N
MW3222.88 g/mol
LogP20.85
Rot. Bonds32

About [6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone

[6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone (PubChem CID 158666806) has the molecular formula C161H208BrCl3F9N31O18 and a molecular weight of 3222.88 g/mol. Its IUPAC name is [6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone
PubChem CID158666806
Molecular FormulaC161H208BrCl3F9N31O18
Molecular Weight3222.88 g/mol
Exact Mass3218.44
IUPAC Name[6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone
SMILESCOC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCC(c4ccc(C(F)(F)F)cc4)CC3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCC(c4cccc(C(F)(F)F)c4)CC3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCc4c(Cl)cc(Cl)cc4C3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCc4c(Cl)cccc4C3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCc4ncc(Br)cc4C3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3Cc4ccc(C(F)(F)F)cc4C3)c2C)CC1
InChIInChI=1S/2C29H38F3N5O3.C26H33Cl2N5O3.C26H34ClN5O3.C26H32F3N5O3.C25H33BrN6O3/c1-19-26(28(38)37-14-9-23(10-15-37)35-24-11-16-40-17-25(24)39-2)33-18-34-27(19)36-12-7-21(8-13-36)20-3-5-22(6-4-20)29(30,31)32;1-19-26(28(38)37-13-8-23(9-14-37)35-24-10-15-40-17-25(24)39-2)33-18-34-27(19)36-11-6-20(7-12-36)21-4-3-5-22(16-21)29(30,31)32;1-16-24(26(34)32-7-3-19(4-8-32)31-22-6-10-36-14-23(22)35-2)29-15-30-25(16)33-9-5-20-17(13-33)11-18(27)12-21(20)28;1-17-24(28-16-29-25(17)32-12-8-20-18(14-32)4-3-5-21(20)27)26(33)31-10-6-19(7-11-31)30-22-9-13-35-15-23(22)34-2;1-16-23(25(35)33-8-5-20(6-9-33)32-21-7-10-37-14-22(21)36-2)30-15-31-24(16)34-12-17-3-4-19(26(27,28)29)11-18(17)13-34;1-16-23(28-15-29-24(16)32-9-5-20-17(13-32)11-18(26)12-27-20)25(33)31-7-3-19(4-8-31)30-21-6-10-35-14-22(21)34-2/h3-6,18,21,23-25,35H,7-17H2,1-2H3;3-5,16,18,20,23-25,35H,6-15,17H2,1-2H3;11-12,15,19,22-23,31H,3-10,13-14H2,1-2H3;3-5,16,19,22-23,30H,6-15H2,1-2H3;3-4,11,15,20-22,32H,5-10,12-14H2,1-2H3;11-12,15,19,21-22,30H,3-10,13-14H2,1-2H3
InChIKeyIDLPRCMJPPAJQW-UHFFFAOYSA-N
XLogP20.85
TPSA491.81 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003222.88
LogP ≤ 520.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

Analyze [6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[1-[6-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 159138704
[6-[(4-Bromophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-[(3-chloro-2-methylphenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-[(2-chlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[(3-pyridin-4-ylphenyl)methyl]pyrimidin-4-yl]methanone
CID 158406444

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone?
The IUPAC name of [6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone (CID 158666806) is [6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone.
What is the SMILES notation for [6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone?
The canonical SMILES for [6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone is COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCC(c4ccc(C(F)(F)F)cc4)CC3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCC(c4cccc(C(F)(F)F)c4)CC3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCc4c(Cl)cc(Cl)cc4C3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCc4c(Cl)cccc4C3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3CCc4ncc(Br)cc4C3)c2C)CC1.COC1COCCC1NC1CCN(C(=O)c2ncnc(N3Cc4ccc(C(F)(F)F)cc4C3)c2C)CC1.
What is the InChIKey of [6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone?
The InChIKey is IDLPRCMJPPAJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H38F3N5O3.C26H33Cl2N5O3.C26H34ClN5O3.C26H32F3N5O3.C25H33BrN6O3/c1-19-26(28(38)37-14-9-23(10-15-37)35-24-11-16-40-17-25(24)39-2)33-18-34-27(19)36-12-7-21(8-13-36)20-3-5-22(6-4-20)29(30,31)32;1-19-26(28(38)37-13-8-23(9-14-37)35-24-10-15-40-17-25(24)39-2)33-18-34-27(19)36-11-6-20(7-12-36)21-4-3-5-22(16-21)29(30,31)32;1-16-24(26(34)32-7-3-19(4-8-32)31-22-6-10-36-14-23(22)35-2)29-15-30-25(16)33-9-5-20-17(13-33)11-18(27)12-21(20)28;1-17-24(28-16-29-25(17)32-12-8-20-18(14-32)4-3-5-21(20)27)26(33)31-10-6-19(7-11-31)30-22-9-13-35-15-23(22)34-2;1-16-23(25(35)33-8-5-20(6-9-33)32-21-7-10-37-14-22(21)36-2)30-15-31-24(16)34-12-17-3-4-19(26(27,28)29)11-18(17)13-34;1-16-23(28-15-29-24(16)32-9-5-20-17(13-32)11-18(26)12-27-20)25(33)31-7-3-19(4-8-31)30-21-6-10-35-14-22(21)34-2/h3-6,18,21,23-25,35H,7-17H2,1-2H3;3-5,16,18,20,23-25,35H,6-15,17H2,1-2H3;11-12,15,19,22-23,31H,3-10,13-14H2,1-2H3;3-5,16,19,22-23,30H,6-15H2,1-2H3;3-4,11,15,20-22,32H,5-10,12-14H2,1-2H3;11-12,15,19,21-22,30H,3-10,13-14H2,1-2H3.
What are the key properties of [6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone?
[6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone has a molecular weight of 3222.88 g/mol, XLogP of 20.85, 32 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone is sourced from PubChem (CID 158666806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).