N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C161H165F11N38O22 — CID 157404530

IUPACN-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2C(=O)OC[C@@H]2C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N2C(=O)OC[C@@H]2C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(OC2CNC2)n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(OC2CNC2)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2C(=O)OC[C@@H]2C)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N2C(=O)OC[C@@H]2C)n1
InChIInChI=1S/C29H31N7O4.C28H30N8O4.C27H26F3N5O4.C26H25F3N6O4.C26H28F2N6O3.C25H25F3N6O3/c1-18-5-6-21(32-26(37)20-7-8-31-24(13-20)29(3,4)17-30)14-22(18)23-15-25(35-9-11-39-12-10-35)34-27(33-23)36-19(2)16-40-28(36)38;1-17-15-40-27(38)36(17)26-33-22(13-24(34-26)35-7-9-39-10-8-35)21-12-20(14-31-18(21)2)32-25(37)19-5-6-30-23(11-19)28(3,4)16-29;1-16-6-7-20(31-24(36)18-4-3-5-19(12-18)27(28,29)30)13-21(16)22-14-23(34-8-10-38-11-9-34)33-25(32-22)35-17(2)15-39-26(35)37;1-15-14-39-25(37)35(15)24-32-21(12-22(33-24)34-6-8-38-9-7-34)20-11-19(13-30-16(20)2)31-23(36)17-4-3-5-18(10-17)26(27,28)29;1-16-3-4-18(31-24(35)17-5-6-30-22(11-17)26(2,27)28)12-20(16)21-13-23(34-7-9-36-10-8-34)33-25(32-21)37-19-14-29-15-19;1-15-2-3-17(31-23(35)16-4-5-30-21(10-16)25(26,27)28)11-19(15)20-12-22(34-6-8-36-9-7-34)33-24(32-20)37-18-13-29-14-18/h5-8,13-15,19H,9-12,16H2,1-4H3,(H,32,37);5-6,11-14,17H,7-10,15H2,1-4H3,(H,32,37);3-7,12-14,17H,8-11,15H2,1-2H3,(H,31,36);3-5,10-13,15H,6-9,14H2,1-2H3,(H,31,36);3-6,11-13,19,29H,7-10,14-15H2,1-2H3,(H,31,35);2-5,10-12,18,29H,6-9,13-14H2,1H3,(H,31,35)/t19-;2*17-;15-;;/m0000../s1
InChIKeyBNOJGCPYIPPPSU-TWDOABJPSA-N
MW3193.31 g/mol
LogP23.47
Rot. Bonds35

About N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 157404530) has the molecular formula C161H165F11N38O22 and a molecular weight of 3193.31 g/mol. Its IUPAC name is N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID157404530
Molecular FormulaC161H165F11N38O22
Molecular Weight3193.31 g/mol
Exact Mass3191.28
IUPAC NameN-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2C(=O)OC[C@@H]2C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N2C(=O)OC[C@@H]2C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(OC2CNC2)n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(OC2CNC2)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2C(=O)OC[C@@H]2C)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N2C(=O)OC[C@@H]2C)n1
InChIInChI=1S/C29H31N7O4.C28H30N8O4.C27H26F3N5O4.C26H25F3N6O4.C26H28F2N6O3.C25H25F3N6O3/c1-18-5-6-21(32-26(37)20-7-8-31-24(13-20)29(3,4)17-30)14-22(18)23-15-25(35-9-11-39-12-10-35)34-27(33-23)36-19(2)16-40-28(36)38;1-17-15-40-27(38)36(17)26-33-22(13-24(34-26)35-7-9-39-10-8-35)21-12-20(14-31-18(21)2)32-25(37)19-5-6-30-23(11-19)28(3,4)16-29;1-16-6-7-20(31-24(36)18-4-3-5-19(12-18)27(28,29)30)13-21(16)22-14-23(34-8-10-38-11-9-34)33-25(32-22)35-17(2)15-39-26(35)37;1-15-14-39-25(37)35(15)24-32-21(12-22(33-24)34-6-8-38-9-7-34)20-11-19(13-30-16(20)2)31-23(36)17-4-3-5-18(10-17)26(27,28)29;1-16-3-4-18(31-24(35)17-5-6-30-22(11-17)26(2,27)28)12-20(16)21-13-23(34-7-9-36-10-8-34)33-25(32-21)37-19-14-29-15-19;1-15-2-3-17(31-23(35)16-4-5-30-21(10-16)25(26,27)28)11-19(15)20-12-22(34-6-8-36-9-7-34)33-24(32-20)37-18-13-29-14-18/h5-8,13-15,19H,9-12,16H2,1-4H3,(H,32,37);5-6,11-14,17H,7-10,15H2,1-4H3,(H,32,37);3-7,12-14,17H,8-11,15H2,1-2H3,(H,31,36);3-5,10-13,15H,6-9,14H2,1-2H3,(H,31,36);3-6,11-13,19,29H,7-10,14-15H2,1-2H3,(H,31,35);2-5,10-12,18,29H,6-9,13-14H2,1H3,(H,31,35)/t19-;2*17-;15-;;/m0000../s1
InChIKeyBNOJGCPYIPPPSU-TWDOABJPSA-N
XLogP23.47
TPSA689.70 Ų
H-Bond Donors8
H-Bond Acceptors50
Rotatable Bonds35
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003193.31
LogP ≤ 523.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 157404530) is N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2C(=O)OC[C@@H]2C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N2C(=O)OC[C@@H]2C)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(OC2CNC2)n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(OC2CNC2)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2C(=O)OC[C@@H]2C)n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N2C(=O)OC[C@@H]2C)n1.
What is the InChIKey of N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BNOJGCPYIPPPSU-TWDOABJPSA-N. The full InChI is InChI=1S/C29H31N7O4.C28H30N8O4.C27H26F3N5O4.C26H25F3N6O4.C26H28F2N6O3.C25H25F3N6O3/c1-18-5-6-21(32-26(37)20-7-8-31-24(13-20)29(3,4)17-30)14-22(18)23-15-25(35-9-11-39-12-10-35)34-27(33-23)36-19(2)16-40-28(36)38;1-17-15-40-27(38)36(17)26-33-22(13-24(34-26)35-7-9-39-10-8-35)21-12-20(14-31-18(21)2)32-25(37)19-5-6-30-23(11-19)28(3,4)16-29;1-16-6-7-20(31-24(36)18-4-3-5-19(12-18)27(28,29)30)13-21(16)22-14-23(34-8-10-38-11-9-34)33-25(32-22)35-17(2)15-39-26(35)37;1-15-14-39-25(37)35(15)24-32-21(12-22(33-24)34-6-8-38-9-7-34)20-11-19(13-30-16(20)2)31-23(36)17-4-3-5-18(10-17)26(27,28)29;1-16-3-4-18(31-24(35)17-5-6-30-22(11-17)26(2,27)28)12-20(16)21-13-23(34-7-9-36-10-8-34)33-25(32-21)37-19-14-29-15-19;1-15-2-3-17(31-23(35)16-4-5-30-21(10-16)25(26,27)28)11-19(15)20-12-22(34-6-8-36-9-7-34)33-24(32-20)37-18-13-29-14-18/h5-8,13-15,19H,9-12,16H2,1-4H3,(H,32,37);5-6,11-14,17H,7-10,15H2,1-4H3,(H,32,37);3-7,12-14,17H,8-11,15H2,1-2H3,(H,31,36);3-5,10-13,15H,6-9,14H2,1-2H3,(H,31,36);3-6,11-13,19,29H,7-10,14-15H2,1-2H3,(H,31,35);2-5,10-12,18,29H,6-9,13-14H2,1H3,(H,31,35)/t19-;2*17-;15-;;/m0000../s1.
What are the key properties of N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 3193.31 g/mol, XLogP of 23.47, 35 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-(azetidin-3-yloxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[4-methyl-3-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[2-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-6-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157404530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).