2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C131H142F7N31O15 — CID 158531965

IUPAC2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1
InChIInChI=1S/C28H31N7O3.C27H32N6O3.C26H28F2N6O3.C25H25F3N6O3.C25H26F2N6O3/c1-18-4-5-20(31-26(37)19-6-7-30-24(12-19)28(2,3)17-29)13-22(18)23-14-25(34-8-10-38-11-9-34)33-27(32-23)35-15-21(36)16-35;1-17(2)23-12-19(6-7-28-23)26(35)29-20-5-4-18(3)22(13-20)24-14-25(32-8-10-36-11-9-32)31-27(30-24)33-15-21(34)16-33;1-16-3-4-18(30-24(36)17-5-6-29-22(11-17)26(2,27)28)12-20(16)21-13-23(33-7-9-37-10-8-33)32-25(31-21)34-14-19(35)15-34;1-15-20(10-18(12-29-15)30-23(36)16-3-2-4-17(9-16)25(26,27)28)21-11-22(33-5-7-37-8-6-33)32-24(31-21)34-13-19(35)14-34;1-15-20(10-18(12-28-15)29-24(35)17-4-2-3-16(9-17)23(26)27)21-11-22(32-5-7-36-8-6-32)31-25(30-21)33-13-19(34)14-33/h4-7,12-14,21,36H,8-11,15-16H2,1-3H3,(H,31,37);4-7,12-14,17,21,34H,8-11,15-16H2,1-3H3,(H,29,35);3-6,11-13,19,35H,7-10,14-15H2,1-2H3,(H,30,36);2-4,9-12,19,35H,5-8,13-14H2,1H3,(H,30,36);2-4,9-12,19,23,34H,5-8,13-14H2,1H3,(H,29,35)
InChIKeyHNMHAOLWPFINCM-UHFFFAOYSA-N
MW2523.76 g/mol
LogP15.58
Rot. Bonds29

About 2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 158531965) has the molecular formula C131H142F7N31O15 and a molecular weight of 2523.76 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID158531965
Molecular FormulaC131H142F7N31O15
Molecular Weight2523.76 g/mol
Exact Mass2522.12
IUPAC Name2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1
InChIInChI=1S/C28H31N7O3.C27H32N6O3.C26H28F2N6O3.C25H25F3N6O3.C25H26F2N6O3/c1-18-4-5-20(31-26(37)19-6-7-30-24(12-19)28(2,3)17-29)13-22(18)23-14-25(34-8-10-38-11-9-34)33-27(32-23)35-15-21(36)16-35;1-17(2)23-12-19(6-7-28-23)26(35)29-20-5-4-18(3)22(13-20)24-14-25(32-8-10-36-11-9-32)31-27(30-24)33-15-21(34)16-33;1-16-3-4-18(30-24(36)17-5-6-29-22(11-17)26(2,27)28)12-20(16)21-13-23(33-7-9-37-10-8-33)32-25(31-21)34-14-19(35)15-34;1-15-20(10-18(12-29-15)30-23(36)16-3-2-4-17(9-16)25(26,27)28)21-11-22(33-5-7-37-8-6-33)32-24(31-21)34-13-19(35)14-34;1-15-20(10-18(12-28-15)29-24(35)17-4-2-3-16(9-17)23(26)27)21-11-22(32-5-7-36-8-6-32)31-25(30-21)33-13-19(34)14-33/h4-7,12-14,21,36H,8-11,15-16H2,1-3H3,(H,31,37);4-7,12-14,17,21,34H,8-11,15-16H2,1-3H3,(H,29,35);3-6,11-13,19,35H,7-10,14-15H2,1-2H3,(H,30,36);2-4,9-12,19,35H,5-8,13-14H2,1H3,(H,30,36);2-4,9-12,19,23,34H,5-8,13-14H2,1H3,(H,29,35)
InChIKeyHNMHAOLWPFINCM-UHFFFAOYSA-N
XLogP15.58
TPSA542.34 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds29
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002523.76
LogP ≤ 515.58
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Analyze 2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-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

3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]phenyl]-5-(4-methylpiperazin-1-yl)benzamide
CID 89972867
3-(2-cyanopropan-2-yl)-5-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-[(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]phenyl]benzamide
CID 89972879
2-(2-cyanopropan-2-yl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 90463396
2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 117609941
2-(1,1-difluoroethyl)-N-[4-[(3R)-3-hydroxy-4-[[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]butyl]-3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide
CID 130425577
N-[3-[2-[2-[2-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]ethyl-methylamino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 130425771
2-(1,1-difluoroethyl)-N-[3-[2-ethoxy-6-[2-[[methyl-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]morpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425772
N-[6-methyl-5-[6-morpholin-4-yl-2-[4-[3-[3-(6-morpholin-4-yl-2-piperazin-1-ylpyrimidin-4-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-2-yl]propyl]piperazin-1-yl]pyrimidin-4-yl]pyridin-3-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130425798
2-tert-butyl-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide;2-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 157217069
N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157288435
2-(Azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 157339423
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 158531965) is 2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.Cc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)n1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HNMHAOLWPFINCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O3.C27H32N6O3.C26H28F2N6O3.C25H25F3N6O3.C25H26F2N6O3/c1-18-4-5-20(31-26(37)19-6-7-30-24(12-19)28(2,3)17-29)13-22(18)23-14-25(34-8-10-38-11-9-34)33-27(32-23)35-15-21(36)16-35;1-17(2)23-12-19(6-7-28-23)26(35)29-20-5-4-18(3)22(13-20)24-14-25(32-8-10-36-11-9-32)31-27(30-24)33-15-21(34)16-33;1-16-3-4-18(30-24(36)17-5-6-29-22(11-17)26(2,27)28)12-20(16)21-13-23(33-7-9-37-10-8-33)32-25(31-21)34-14-19(35)15-34;1-15-20(10-18(12-29-15)30-23(36)16-3-2-4-17(9-16)25(26,27)28)21-11-22(33-5-7-37-8-6-33)32-24(31-21)34-13-19(35)14-34;1-15-20(10-18(12-28-15)29-24(35)17-4-2-3-16(9-17)23(26)27)21-11-22(32-5-7-36-8-6-32)31-25(30-21)33-13-19(34)14-33/h4-7,12-14,21,36H,8-11,15-16H2,1-3H3,(H,31,37);4-7,12-14,17,21,34H,8-11,15-16H2,1-3H3,(H,29,35);3-6,11-13,19,35H,7-10,14-15H2,1-2H3,(H,30,36);2-4,9-12,19,35H,5-8,13-14H2,1H3,(H,30,36);2-4,9-12,19,23,34H,5-8,13-14H2,1H3,(H,29,35).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2523.76 g/mol, XLogP of 15.58, 29 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]benzamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158531965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).